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

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-butoxybenzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

InChI

InChI=1S/C21H22N2O4/c1-2-3-15-26-19-11-9-17(10-12-19)21(25)27-16-20(24)23(14-13-22)18-7-5-4-6-8-18/h4-12H,2-3,14-16H2,1H3