ethyl 4-(3-ethoxy-4-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl 4-(3-ethoxy-4-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 4-(3-ethoxy-4-hydroxy-phenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(3-ethoxy-4-hydroxy-phenyl)-5-keto-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C3C(=O)CC(C=C3NC(=C2C(=O)OCC)C)(C)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C3C(=O)CC(C=C3NC(=C2C(=O)OCC)C)(C)C)O

InChI

InChI=1S/C23H29NO5/c1-6-28-18-10-14(8-9-16(18)25)20-19(22(27)29-7-2)13(3)24-15-11-23(4,5)12-17(26)21(15)20/h8-11,20-21,24-25H,6-7,12H2,1-5H3