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

Systemtic Name: cyclohexyl (4R,7R)-4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: cyclohexyl (4R,7R)-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4R,7R)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl (4R,7R)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R,7R)-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-5-keto-2-methyl-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid cyclohexyl ester Formula: C31H34BrNO5 MolecularWeight: 580.50936

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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)Br)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)Br)O

InChI

InChI=1S/C31H34BrNO5/c1-3-37-26-17-21(14-23(32)30(26)35)28-27(31(36)38-22-12-8-5-9-13-22)18(2)33-24-15-20(16-25(34)29(24)28)19-10-6-4-7-11-19/h4,6-7,10-11,14,17,20,22,28-29,35H,3,5,8-9,12-13,15-16H2,1-2H3/t20-,28-,29?/m1/s1