[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methoxyphenyl)carbonylamino]benzoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methoxyphenyl)carbonylamino]benzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 2-[(4-methoxybenzoyl)amino]benzoate CAS Name: 2-[[(4-methoxyphenyl)-oxomethyl]amino]benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]benzoate Traditional Name: 2-(p-anisoylamino)benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H21N3O5/c1-24(13-5-12-22)19(25)14-29-21(27)17-6-3-4-7-18(17)23-20(26)15-8-10-16(28-2)11-9-15/h3-4,6-11H,5,13-14H2,1-2H3,(H,23,26)