[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 3,4-diethoxybenzoate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 3,4-diethoxybenzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5/c1-4-28-20-13-12-18(16-21(20)29-5-2)23(27)30-17(3)22(26)25(15-9-14-24)19-10-7-6-8-11-19/h6-8,10-13,16-17H,4-5,9,15H2,1-3H3