[(2R)-butan-2-yl] (4S,7S)-7-(4-chlorophenyl)-4-(3-ethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: [(2R)-butan-2-yl] (4S,7S)-7-(4-chlorophenyl)-4-(3-ethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: [(1R)-1-methylpropyl] (4S,7S)-7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxy-phenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S,7S)-7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid [(2R)-butan-2-yl] ester IUPAC Name: [(2R)-butan-2-yl] (4S,7S)-7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S,7S)-7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxy-phenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid [(1R)-1-methylpropyl] ester Formula: C29H32ClNO5 MolecularWeight: 510.02108

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)O)OCC)C(=O)CC(C2)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC[C@@H](C)OC(=O)C1=C(NC2=C([C@@H]1C3=CC(=C(C=C3)O)OCC)C(=O)C[C@H](C2)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C29H32ClNO5/c1-5-16(3)36-29(34)26-17(4)31-22-13-20(18-7-10-21(30)11-8-18)14-24(33)28(22)27(26)19-9-12-23(32)25(15-19)35-6-2/h7-12,15-16,20,27,31-32H,5-6,13-14H2,1-4H3/t16-,20+,27-/m1/s1