[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-[(3-methylphenyl)carbonylamino]benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-[(3-methylphenyl)carbonylamino]benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-[(3-methylbenzoyl)amino]benzoate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate Traditional Name: 2-(m-toluoylamino)benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C23H23N3O4 MolecularWeight: 405.44642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)OCC(=O)NC3(CCCC3)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)OCC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C23H23N3O4/c1-16-7-6-8-17(13-16)21(28)25-19-10-3-2-9-18(19)22(29)30-14-20(27)26-23(15-24)11-4-5-12-23/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,25,28)(H,26,27)