[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-pentoxybenzoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-pentoxybenzoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/c1-2-3-4-15-27-20-11-7-18(8-12-20)22(26)28-16-21(25)24-19-9-5-17(6-10-19)13-14-23/h5-12H,2-4,13,15-16H2,1H3,(H,24,25)