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

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-3-methyl-benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-amino-3-methyl-benzoate CAS Name: 2-amino-3-methylbenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-amino-3-methylbenzoate Traditional Name: 2-amino-3-methyl-benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N)C(=O)OCC(=O)NC2(CCCC2)C#N

Isomeric SMILES

CC1=CC=CC(=C1N)C(=O)OCC(=O)NC2(CCCC2)C#N

InChI

InChI=1S/C16H19N3O3/c1-11-5-4-6-12(14(11)18)15(21)22-9-13(20)19-16(10-17)7-2-3-8-16/h4-6H,2-3,7-9,18H2,1H3,(H,19,20)