2-[(2E)-2-cyano-3-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamido]benzoic acid

2-[(2E)-2-cyano-3-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamido]benzoic acid

Formula: C30H24N2O5

SMILES: CCOC1=CC(C=C(/C#N)C(=O)NC2=CC=CC=C2C(O)=O)=CC=C1OCC1=CC=CC2=CC=CC=C12

IUPAC: 2-[(2E)-2-cyano-3-{3-ethoxy-4-[(naphthalen-1-yl)methoxy]phenyl}prop-2-enamido]benzoic acid

InChI: InChI=1S/C30H24N2O5/c1-2-36-28-17-20(16-23(18-31)29(33)32-26-13-6-5-12-25(26)30(34)35)14-15-27(28)37-19-22-10-7-9-21-8-3-4-11-24(21)22/h3-17H,2,19H2,1H3,(H,32,33)(H,34,35)/b23-16+

Composition: C (73.16%), H (4.91%), N (5.69%), O (16.24%)

Molar Mass: 492.531

Atom Count: 61

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	492.168521881
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	QKXHDGGETFOYAO-XQNSMLJCSA-N
Lipinski's Rule of Five
Molar Refractivity	142.38
Topological Polar Surface Area	108.65
Polarizability	54.38
Ring Count	4
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C30H24N2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00