[[7-cyano-7-(4-methoxyphenyl)-7-quinolin-2-yl-heptanoyl]amino] benzoate

Systemtic Name: [[7-cyano-7-(4-methoxyphenyl)-7-quinolin-2-yl-heptanoyl]amino] benzoate Openeye Name: [[7-cyano-7-(4-methoxyphenyl)-7-(2-quinolyl)heptanoyl]amino] benzoate CAS Name: benzoic acid [[7-cyano-7-(4-methoxyphenyl)-1-oxo-7-(2-quinolinyl)heptyl]amino] ester IUPAC Name: [[7-cyano-7-(4-methoxyphenyl)-7-quinolin-2-ylheptanoyl]amino] benzoate Traditional Name: benzoic acid [[7-cyano-7-(4-methoxyphenyl)-7-(2-quinolyl)heptanoyl]amino] ester Formula: C31H29N3O4 MolecularWeight: 507.57966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CCCCCC(=O)NOC(=O)C2=CC=CC=C2)(C#N)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(CCCCCC(=O)NOC(=O)C2=CC=CC=C2)(C#N)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C31H29N3O4/c1-37-26-18-16-25(17-19-26)31(22-32,28-20-15-23-10-7-8-13-27(23)33-28)21-9-3-6-14-29(35)34-38-30(36)24-11-4-2-5-12-24/h2,4-5,7-8,10-13,15-20H,3,6,9,14,21H2,1H3,(H,34,35)