[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-[(3-methylphenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-[(3-methylphenyl)carbonylamino]ethanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-[(3-methylbenzoyl)amino]acetate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]acetic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate Traditional Name: 2-(m-toluoylamino)acetic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC(=O)OCC(=O)N(C)C2(CCCCC2)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC(=O)OCC(=O)N(C)C2(CCCCC2)C#N

InChI

InChI=1S/C20H25N3O4/c1-15-7-6-8-16(11-15)19(26)22-12-18(25)27-13-17(24)23(2)20(14-21)9-4-3-5-10-20/h6-8,11H,3-5,9-10,12-13H2,1-2H3,(H,22,26)