[2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-phenoxybutanoate

Systemtic Name: [2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-phenoxybutanoate Openeye Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 4-phenoxybutanoate CAS Name: 4-phenoxybutanoic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-phenoxybutanoate Traditional Name: 4-phenoxybutyric acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCC(=O)OCC(=O)N(CCC#N)C2=CC(=CC=C2)Cl

Isomeric SMILES

C1=CC=C(C=C1)OCCCC(=O)OCC(=O)N(CCC#N)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C21H21ClN2O4/c22-17-7-4-8-18(15-17)24(13-6-12-23)20(25)16-28-21(26)11-5-14-27-19-9-2-1-3-10-19/h1-4,7-10,15H,5-6,11,13-14,16H2