[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-pentoxybenzoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-pentoxybenzoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C21H22N2O4/c1-2-3-4-12-26-19-10-8-17(9-11-19)21(25)27-15-20(24)23-18-7-5-6-16(13-18)14-22/h5-11,13H,2-4,12,15H2,1H3,(H,23,24)