methyl (4R)-4-(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)-2-methyl-5-oxidanylidene-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate

Systemtic Name: methyl (4R)-4-(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)-2-methyl-5-oxidanylidene-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate Openeye Name: methyl (4R)-4-(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate CAS Name: (4R)-4-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (4R)-4-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate Traditional Name: (4R)-4-(3-bromo-5-methoxy-4-propargyloxy-phenyl)-5-keto-2-methyl-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylic acid methyl ester Formula: C25H20BrNO5 MolecularWeight: 494.334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)C3=CC=CC=C3C2=O)C4=CC(=C(C(=C4)Br)OCC#C)OC)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](C2=C(N1)C3=CC=CC=C3C2=O)C4=CC(=C(C(=C4)Br)OCC#C)OC)C(=O)OC

InChI

InChI=1S/C25H20BrNO5/c1-5-10-32-24-17(26)11-14(12-18(24)30-3)20-19(25(29)31-4)13(2)27-22-15-8-6-7-9-16(15)23(28)21(20)22/h1,6-9,11-12,20,27H,10H2,2-4H3/t20-/m0/s1