[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 5-methoxy-2-oxidanyl-benzoate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 5-methoxy-2-oxidanyl-benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 2-hydroxy-5-methoxy-benzoate CAS Name: 2-hydroxy-5-methoxybenzoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate Traditional Name: 2-hydroxy-5-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)8-4-3-5-9-18)25-17(23)14-10-13(24-2)6-7-15(14)21/h6-7,10,12,21H,3-5,8-9H2,1-2H3,(H,20,22)