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

Systemtic Name: ethyl 4-[(3,6,6-trimethyl-7-oxidanyl-4-oxidanylidene-cyclohept-2-en-1-yl)amino]benzoate Openeye Name: ethyl 4-[(7-hydroxy-3,6,6-trimethyl-4-oxo-cyclohept-2-en-1-yl)amino]benzoate CAS Name: 4-[(7-hydroxy-3,6,6-trimethyl-4-oxo-1-cyclohept-2-enyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(7-hydroxy-3,6,6-trimethyl-4-oxocyclohept-2-en-1-yl)amino]benzoate Traditional Name: 4-[(7-hydroxy-4-keto-3,6,6-trimethyl-cyclohept-2-en-1-yl)amino]benzoic acid ethyl ester Formula: C19H25NO4 MolecularWeight: 331.4061

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2C=C(C(=O)CC(C2O)(C)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2C=C(C(=O)CC(C2O)(C)C)C

InChI

InChI=1S/C19H25NO4/c1-5-24-18(23)13-6-8-14(9-7-13)20-15-10-12(2)16(21)11-19(3,4)17(15)22/h6-10,15,17,20,22H,5,11H2,1-4H3