ethyl 4-[[(3,6,6-trimethyl-7-oxidanyl-4-oxidanylidene-cyclohept-2-en-1-yl)amino]methyl]benzoate

Systemtic Name: ethyl 4-[[(3,6,6-trimethyl-7-oxidanyl-4-oxidanylidene-cyclohept-2-en-1-yl)amino]methyl]benzoate Openeye Name: ethyl 4-[[(7-hydroxy-3,6,6-trimethyl-4-oxo-cyclohept-2-en-1-yl)amino]methyl]benzoate CAS Name: 4-[[(7-hydroxy-3,6,6-trimethyl-4-oxo-1-cyclohept-2-enyl)amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(7-hydroxy-3,6,6-trimethyl-4-oxocyclohept-2-en-1-yl)amino]methyl]benzoate Traditional Name: 4-[[(7-hydroxy-4-keto-3,6,6-trimethyl-cyclohept-2-en-1-yl)amino]methyl]benzoic acid ethyl ester Formula: C20H27NO4 MolecularWeight: 345.43268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CNC2C=C(C(=O)CC(C2O)(C)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CNC2C=C(C(=O)CC(C2O)(C)C)C

InChI

InChI=1S/C20H27NO4/c1-5-25-19(24)15-8-6-14(7-9-15)12-21-16-10-13(2)17(22)11-20(3,4)18(16)23/h6-10,16,18,21,23H,5,11-12H2,1-4H3