methyl (4S)-4-(5-bromanyl-2-phenylmethoxy-phenyl)-2-methyl-5-oxidanylidene-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate

Systemtic Name: methyl (4S)-4-(5-bromanyl-2-phenylmethoxy-phenyl)-2-methyl-5-oxidanylidene-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate Openeye Name: methyl (4S)-4-(2-benzyloxy-5-bromo-phenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate CAS Name: (4S)-4-(5-bromo-2-phenylmethoxyphenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(5-bromo-2-phenylmethoxyphenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate Traditional Name: (4S)-4-(2-benzoxy-5-bromo-phenyl)-5-keto-2-methyl-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylic acid methyl ester Formula: C28H22BrNO4 MolecularWeight: 516.38258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4)C(=O)C5=CC=CC=C52

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OC)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4)C(=O)C5=CC=CC=C52

InChI

InChI=1S/C28H22BrNO4/c1-16-23(28(32)33-2)24(25-26(30-16)19-10-6-7-11-20(19)27(25)31)21-14-18(29)12-13-22(21)34-15-17-8-4-3-5-9-17/h3-14,23-24H,15H2,1-2H3/t23?,24-/m1/s1