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methyl 2-{4-[(1E)-2-cyano-2-[(3-methoxypropyl)carbamoyl]eth-1-en-1-yl]-2-methoxyphenoxy}acetate

methyl 2-{4-[(1E)-2-cyano-2-[(3-methoxypropyl)carbamoyl]eth-1-en-1-yl]-2-methoxyphenoxy}acetate

Formula: C18H22N2O6

SMILES: COCCCNC(=O)C(=CC1=CC=C(OCC(=O)OC)C(OC)=C1)C#N

IUPAC: methyl 2-{4-[(1E)-2-cyano-2-[(3-methoxypropyl)carbamoyl]eth-1-en-1-yl]-2-methoxyphenoxy}acetate

InChI: InChI=1S/C18H22N2O6/c1-23-8-4-7-20-18(22)14(11-19)9-13-5-6-15(16(10-13)24-2)26-12-17(21)25-3/h5-6,9-10H,4,7-8,12H2,1-3H3,(H,20,22)/b14-9+

Composition: C (59.66%), H (6.12%), N (7.73%), O (26.49%)

Molar Mass: 362.382

Atom Count: 48

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 362.147786436
Formal Charge 0
FSP3 0.39
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey YGZFVPHFUVWKAS-NTEUORMPSA-N
Lipinski's Rule of Five 1
Molar Refractivity 94.52
Topological Polar Surface Area 106.88
Polarizability 36.12
Ring Count 1
Rotatable Bond Count 11

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C18H22N2O6 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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