[2-[[2-(cyclopentylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-[[2-(cyclopentylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-[2-[(cyclopentylamino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-[2-(cyclopentylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H21N3O4/c23-13-15-6-5-7-16(12-15)22(28)29-14-20(26)25-19-11-4-3-10-18(19)21(27)24-17-8-1-2-9-17/h3-7,10-12,17H,1-2,8-9,14H2,(H,24,27)(H,25,26)