4-{4-[(1E)-2-cyano-2-[(oxolan-2-ylmethyl)carbamoyl]eth-1-en-1-yl]-2-methoxyphenoxymethyl}benzoic acid

4-{4-[(1E)-2-cyano-2-[(oxolan-2-ylmethyl)carbamoyl]eth-1-en-1-yl]-2-methoxyphenoxymethyl}benzoic acid

Formula: C24H24N2O6

SMILES: COC1=CC(C=C(/C#N)C(=O)NCC2CCCO2)=CC=C1OCC1=CC=C(C=C1)C(O)=O

IUPAC: 4-({4-[(1E)-2-cyano-2-{[(oxolan-2-yl)methyl]carbamoyl}eth-1-en-1-yl]-2-methoxyphenoxy}methyl)benzoic acid

InChI: InChI=1/C24H24N2O6/c1-30-22-12-17(11-19(13-25)23(27)26-14-20-3-2-10-31-20)6-9-21(22)32-15-16-4-7-18(8-5-16)24(28)29/h4-9,11-12,20H,2-3,10,14-15H2,1H3,(H,26,27)(H,28,29)/b19-11+

Composition: C (66.05%), H (5.54%), N (6.42%), O (21.99%)

Molar Mass: 436.464

Atom Count: 56

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	436.163436501
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	ODJFTKRGQOEJAX-YBFXNURJNA-N
Lipinski's Rule of Five	1
Molar Refractivity	117.88
Topological Polar Surface Area	117.88
Polarizability	44.66
Ring Count	3
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H24N2O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00