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

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylphenyl)carbonylamino]propanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 3-[(2-methylbenzoyl)amino]propanoate CAS Name: 3-[[(2-methylphenyl)-oxomethyl]amino]propanoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate Traditional Name: 3-(o-toluoylamino)propionic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)OCC(=O)NC2(CCCC2)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)OCC(=O)NC2(CCCC2)C#N

InChI

InChI=1S/C19H23N3O4/c1-14-6-2-3-7-15(14)18(25)21-11-8-17(24)26-12-16(23)22-19(13-20)9-4-5-10-19/h2-3,6-7H,4-5,8-12H2,1H3,(H,21,25)(H,22,23)