[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-oxidanyl-benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-oxidanyl-benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3-hydroxy-4-methyl-benzoate CAS Name: 3-hydroxy-4-methylbenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-hydroxy-4-methylbenzoate Traditional Name: 3-hydroxy-4-methyl-benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2(CCCCC2)C#N)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2(CCCCC2)C#N)O

InChI

InChI=1S/C17H20N2O4/c1-12-5-6-13(9-14(12)20)16(22)23-10-15(21)19-17(11-18)7-3-2-4-8-17/h5-6,9,20H,2-4,7-8,10H2,1H3,(H,19,21)