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

Systemtic Name: phenethyl 4-(4-methoxycarbonylphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: phenethyl 4-(4-methoxycarbonylphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 4-(4-methoxycarbonylphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(4-methoxycarbonylphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(4-carbomethoxyphenyl)-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)C(=O)OC)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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