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

Systemtic Name: methyl (4S,7R)-4-(3,4-diethoxyphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: methyl (4S,7R)-4-(3,4-diethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S,7R)-4-(3,4-diethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4S,7R)-4-(3,4-diethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S,7R)-4-(3,4-diethoxyphenyl)-5-keto-2-methyl-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid methyl ester Formula: C28H31NO5 MolecularWeight: 461.54944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31NO5/c1-5-33-23-13-12-19(16-24(23)34-6-2)26-25(28(31)32-4)17(3)29-21-14-20(15-22(30)27(21)26)18-10-8-7-9-11-18/h7-13,16,20,26-27H,5-6,14-15H2,1-4H3/t20-,26+,27?/m1/s1