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

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-methoxy-2-oxidanyl-benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 2-hydroxy-3-methoxy-benzoate CAS Name: 2-hydroxy-3-methoxybenzoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-hydroxy-3-methoxybenzoate Traditional Name: 2-hydroxy-3-methoxy-benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=C(C(=CC=C2)OC)O

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=C(C(=CC=C2)OC)O

InChI

InChI=1S/C18H22N2O5/c1-12(16(22)20-18(11-19)9-4-3-5-10-18)25-17(23)13-7-6-8-14(24-2)15(13)21/h6-8,12,21H,3-5,9-10H2,1-2H3,(H,20,22)