[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-3-methyl-benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-3-methyl-benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-amino-3-methyl-benzoate CAS Name: 2-amino-3-methylbenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-amino-3-methylbenzoate Traditional Name: 2-amino-3-methyl-benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N)C(=O)OCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CC1=CC=CC(=C1N)C(=O)OCC(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C17H21N3O3/c1-12-6-5-7-13(15(12)19)16(22)23-10-14(21)20-17(11-18)8-3-2-4-9-17/h5-7H,2-4,8-10,19H2,1H3,(H,20,21)