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

Systemtic Name: ethyl 4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,7,7-trimethyl-4-o-phenetyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C23H29NO4 MolecularWeight: 383.48066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C3C(=O)CC(C=C3NC(=C2C(=O)OCC)C)(C)C

Isomeric SMILES

CCOC1=CC=CC=C1C2C3C(=O)CC(C=C3NC(=C2C(=O)OCC)C)(C)C

InChI

InChI=1S/C23H29NO4/c1-6-27-18-11-9-8-10-15(18)20-19(22(26)28-7-2)14(3)24-16-12-23(4,5)13-17(25)21(16)20/h8-12,20-21,24H,6-7,13H2,1-5H3