[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-ethoxybenzoate

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-ethoxybenzoate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 2-ethoxybenzoate CAS Name: 2-ethoxybenzoic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-ethoxybenzoate Traditional Name: 2-ethoxybenzoic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)OCC(=O)N(CCC#N)C2=CC(=CC(=C2)C)C

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)OCC(=O)N(CCC#N)C2=CC(=CC(=C2)C)C

InChI

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