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

Systemtic Name: phenethyl 4-(4-acetyloxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: phenethyl 4-(4-acetoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 4-(4-acetyloxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(4-acetyloxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(4-acetoxyphenyl)-5-keto-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid phenethyl ester Formula: C29H31NO5 MolecularWeight: 473.56014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC=C(C=C3)OC(=O)C)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC=C(C=C3)OC(=O)C)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C29H31NO5/c1-18-25(28(33)34-15-14-20-8-6-5-7-9-20)26(21-10-12-22(13-11-21)35-19(2)31)27-23(30-18)16-29(3,4)17-24(27)32/h5-13,16,26-27,30H,14-15,17H2,1-4H3