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

Systemtic Name: cyclohexyl (4S,7R)-4-(2,5-dimethoxyphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: cyclohexyl (4S,7R)-4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7R)-4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl (4S,7R)-4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7R)-4-(2,5-dimethoxyphenyl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid cyclohexyl ester Formula: C31H35NO5 MolecularWeight: 501.6133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC3CCCCC3)C4=C(C=CC(=C4)OC)OC)C(=O)CC(C2)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OC3CCCCC3)C4=C(C=CC(=C4)OC)OC)C(=O)C[C@@H](C2)C5=CC=CC=C5

InChI

InChI=1S/C31H35NO5/c1-19-28(31(34)37-22-12-8-5-9-13-22)29(24-18-23(35-2)14-15-27(24)36-3)30-25(32-19)16-21(17-26(30)33)20-10-6-4-7-11-20/h4,6-7,10-11,14-15,18,21-22,28-29H,5,8-9,12-13,16-17H2,1-3H3/t21-,28?,29-/m1/s1