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

Systemtic Name: phenethyl (4R,7S)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: phenethyl (4R,7S)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R,7S)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4R,7S)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R,7S)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid phenethyl ester Formula: C32H30BrNO5 MolecularWeight: 588.4883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCC3=CC=CC=C3)C4=CC(=C(C(=C4)Br)O)OC)C(=O)CC(C2)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)OCCC3=CC=CC=C3)C4=CC(=C(C(=C4)Br)O)OC)C(=O)C[C@H](C2)C5=CC=CC=C5

InChI

InChI=1S/C32H30BrNO5/c1-19-28(32(37)39-14-13-20-9-5-3-6-10-20)29(23-15-24(33)31(36)27(18-23)38-2)30-25(34-19)16-22(17-26(30)35)21-11-7-4-8-12-21/h3-12,15,18,22,28-29,36H,13-14,16-17H2,1-2H3/t22-,28?,29-/m0/s1