phenethyl 4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: phenethyl 4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: phenethyl 4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(2-butoxyphenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester Formula: C31H37NO4 MolecularWeight: 487.62978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCCC4=CC=CC=C4)C

Isomeric SMILES

CCCCOC1=CC=CC=C1C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCCC4=CC=CC=C4)C

InChI

InChI=1S/C31H37NO4/c1-5-6-17-35-26-15-11-10-14-23(26)28-27(30(34)36-18-16-22-12-8-7-9-13-22)21(2)32-24-19-31(3,4)20-25(33)29(24)28/h7-15,28,32H,5-6,16-20H2,1-4H3