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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C3C(=NC(=C2C(=O)OC4CCCCC4)C)CC(CC3=O)C5=CC=CC=C5)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H]2C3C(=NC(=C2C(=O)OC4CCCCC4)C)C[C@@H](CC3=O)C5=CC=CC=C5)O

InChI

InChI=1S/C31H35NO5/c1-3-36-27-18-21(14-15-25(27)33)29-28(31(35)37-23-12-8-5-9-13-23)19(2)32-24-16-22(17-26(34)30(24)29)20-10-6-4-7-11-20/h4,6-7,10-11,14-15,18,22-23,29-30,33H,3,5,8-9,12-13,16-17H2,1-2H3/t22-,29-,30?/m0/s1