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

Systemtic Name: cyclopentyl (4S,7R)-4-(3-bromanyl-4-methoxy-phenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: cyclopentyl (4S,7R)-4-(3-bromo-4-methoxy-phenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7R)-4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl (4S,7R)-4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7R)-4-(3-bromo-4-methoxy-phenyl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid cyclopentyl ester Formula: C29H30BrNO4 MolecularWeight: 536.4568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC3CCCC3)C4=CC(=C(C=C4)OC)Br)C(=O)CC(C2)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OC3CCCC3)C4=CC(=C(C=C4)OC)Br)C(=O)C[C@@H](C2)C5=CC=CC=C5

InChI

InChI=1S/C29H30BrNO4/c1-17-26(29(33)35-21-10-6-7-11-21)27(19-12-13-25(34-2)22(30)14-19)28-23(31-17)15-20(16-24(28)32)18-8-4-3-5-9-18/h3-5,8-9,12-14,20-21,26-27H,6-7,10-11,15-16H2,1-2H3/t20-,26?,27-/m1/s1