[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2,5-dimethylbenzoate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2,5-dimethylbenzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 2,5-dimethylbenzoate CAS Name: 2,5-dimethylbenzoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2,5-dimethylbenzoate Traditional Name: 2,5-dimethylbenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H24N2O3 MolecularWeight: 328.40546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)OC(C)C(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)OC(C)C(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C19H24N2O3/c1-13-7-8-14(2)16(11-13)18(23)24-15(3)17(22)21-19(12-20)9-5-4-6-10-19/h7-8,11,15H,4-6,9-10H2,1-3H3,(H,21,22)