propan-2-yl (4S,7S)-4-(4-ethoxyphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: propan-2-yl (4S,7S)-4-(4-ethoxyphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: isopropyl (4S,7S)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S,7S)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (4S,7S)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S,7S)-5-keto-2-methyl-7-phenyl-4-p-phenetyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid isopropyl ester Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C3C(=NC(=C2C(=O)OC(C)C)C)CC(CC3=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H]2C3C(=NC(=C2C(=O)OC(C)C)C)C[C@@H](CC3=O)C4=CC=CC=C4

InChI

InChI=1S/C28H31NO4/c1-5-32-22-13-11-20(12-14-22)26-25(28(31)33-17(2)3)18(4)29-23-15-21(16-24(30)27(23)26)19-9-7-6-8-10-19/h6-14,17,21,26-27H,5,15-16H2,1-4H3/t21-,26-,27?/m0/s1