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

Systemtic Name: methyl (4S)-4-(2-bromanyl-4,5-diethoxy-phenyl)-2-methyl-5-oxidanylidene-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylate Openeye Name: methyl (4S)-4-(2-bromo-4,5-diethoxy-phenyl)-2-methyl-5-oxo-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylate CAS Name: (4S)-4-(2-bromo-4,5-diethoxyphenyl)-2-methyl-5-oxo-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(2-bromo-4,5-diethoxyphenyl)-2-methyl-5-oxo-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylate Traditional Name: (4S)-4-(2-bromo-4,5-diethoxy-phenyl)-5-keto-2-methyl-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylic acid methyl ester Formula: C25H24BrNO5 MolecularWeight: 498.36576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C2C3C(=NC(=C2C(=O)OC)C)C4=CC=CC=C4C3=O)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[C@H]2C3C(=NC(=C2C(=O)OC)C)C4=CC=CC=C4C3=O)Br)OCC

InChI

InChI=1S/C25H24BrNO5/c1-5-31-18-11-16(17(26)12-19(18)32-6-2)21-20(25(29)30-4)13(3)27-23-14-9-7-8-10-15(14)24(28)22(21)23/h7-12,21-22H,5-6H2,1-4H3/t21-,22?/m1/s1