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

Systemtic Name: ethyl (4R,7S)-4-(3-methoxy-4-propoxy-phenyl)-2-methyl-5-oxidanylidene-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: ethyl (4R,7S)-4-(3-methoxy-4-propoxy-phenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4R,7S)-4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,7S)-4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R,7S)-5-keto-4-(3-methoxy-4-propoxy-phenyl)-2-methyl-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid ethyl ester Formula: C29H33NO5 MolecularWeight: 475.57602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2C3C(=NC(=C2C(=O)OCC)C)CC(CC3=O)C4=CC=CC=C4)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[C@H]2C3C(=NC(=C2C(=O)OCC)C)C[C@@H](CC3=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C29H33NO5/c1-5-14-35-24-13-12-20(17-25(24)33-4)27-26(29(32)34-6-2)18(3)30-22-15-21(16-23(31)28(22)27)19-10-8-7-9-11-19/h7-13,17,21,27-28H,5-6,14-16H2,1-4H3/t21-,27+,28?/m0/s1