[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3,4-diethoxybenzoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3,4-diethoxybenzoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)OCC

InChI

InChI=1S/C21H22N2O5/c1-3-26-18-10-7-16(13-19(18)27-4-2)21(25)28-14-20(24)23-17-8-5-15(6-9-17)11-12-22/h5-10,13H,3-4,11,14H2,1-2H3,(H,23,24)