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

Systemtic Name: methyl (4S)-4-(2-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylate Openeye Name: methyl (4S)-4-(2-bromo-5-ethoxy-4-hydroxy-phenyl)-2-methyl-5-oxo-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylate CAS Name: (4S)-4-(2-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(2-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylate Traditional Name: (4S)-4-(2-bromo-5-ethoxy-4-hydroxy-phenyl)-5-keto-2-methyl-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylic acid methyl ester Formula: C23H20BrNO5 MolecularWeight: 470.3126

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrNO5/c1-4-30-17-9-14(15(24)10-16(17)26)19-18(23(28)29-3)11(2)25-21-12-7-5-6-8-13(12)22(27)20(19)21/h5-10,19-20,26H,4H2,1-3H3/t19-,20?/m1/s1