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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-methoxy-2-oxidanyl-benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-hydroxy-3-methoxy-benzoate CAS Name: 2-hydroxy-3-methoxybenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-hydroxy-3-methoxybenzoate Traditional Name: 2-hydroxy-3-methoxy-benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C(=O)OCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

COC1=CC=CC(=C1O)C(=O)OCC(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C17H20N2O5/c1-23-13-7-5-6-12(15(13)21)16(22)24-10-14(20)19-17(11-18)8-3-2-4-9-17/h5-7,21H,2-4,8-10H2,1H3,(H,19,20)