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

Systemtic Name: methyl (4S)-4-(2-bromanyl-4-ethoxy-5-methoxy-phenyl)-2-methyl-5-oxidanylidene-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylate Openeye Name: methyl (4S)-4-(2-bromo-4-ethoxy-5-methoxy-phenyl)-2-methyl-5-oxo-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylate CAS Name: (4S)-4-(2-bromo-4-ethoxy-5-methoxyphenyl)-2-methyl-5-oxo-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(2-bromo-4-ethoxy-5-methoxyphenyl)-2-methyl-5-oxo-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylate Traditional Name: (4S)-4-(2-bromo-4-ethoxy-5-methoxy-phenyl)-5-keto-2-methyl-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylic acid methyl ester Formula: C24H22BrNO5 MolecularWeight: 484.33918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22BrNO5/c1-5-31-18-11-16(25)15(10-17(18)29-3)20-19(24(28)30-4)12(2)26-22-13-8-6-7-9-14(13)23(27)21(20)22/h6-11,20-21H,5H2,1-4H3/t20-,21?/m1/s1