propan-2-yl (4S,4aS)-4-(4-methoxycarbonylphenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: propan-2-yl (4S,4aS)-4-(4-methoxycarbonylphenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: isopropyl (4S,4aS)-4-(4-methoxycarbonylphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S,4aS)-4-(4-methoxycarbonylphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (4S,4aS)-4-(4-methoxycarbonylphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S,4aS)-4-(4-carbomethoxyphenyl)-5-keto-2,7,7-trimethyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid isopropyl ester Formula: C24H29NO5 MolecularWeight: 411.49076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)C(=O)OC)C(=O)OC(C)C

Isomeric SMILES

CC1=C([C@@H]([C@H]2C(=N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)C(=O)OC)C(=O)OC(C)C

InChI

InChI=1S/C24H29NO5/c1-13(2)30-23(28)19-14(3)25-17-11-24(4,5)12-18(26)21(17)20(19)15-7-9-16(10-8-15)22(27)29-6/h7-10,13,20-21H,11-12H2,1-6H3/t20-,21-/m0/s1