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

Systemtic Name: methyl (4S,7S)-4-(4-acetyloxy-3-ethoxy-phenyl)-2-methyl-5-oxidanylidene-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: methyl (4S,7S)-4-(4-acetoxy-3-ethoxy-phenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S,7S)-4-(4-acetyloxy-3-ethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4S,7S)-4-(4-acetyloxy-3-ethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S,7S)-4-(4-acetoxy-3-ethoxy-phenyl)-5-keto-2-methyl-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid methyl ester Formula: C28H29NO6 MolecularWeight: 475.53296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29NO6/c1-5-34-24-15-19(11-12-23(24)35-17(3)30)26-25(28(32)33-4)16(2)29-21-13-20(14-22(31)27(21)26)18-9-7-6-8-10-18/h6-12,15,20,26-27H,5,13-14H2,1-4H3/t20-,26-,27?/m0/s1