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

Systemtic Name: ethyl (4S)-4-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)-2-methyl-5-oxidanylidene-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylate Openeye Name: ethyl (4S)-4-(3-chloro-5-ethoxy-4-methoxy-phenyl)-2-methyl-5-oxo-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylate CAS Name: (4S)-4-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-methyl-5-oxo-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-methyl-5-oxo-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylate Traditional Name: (4S)-4-(3-chloro-5-ethoxy-4-methoxy-phenyl)-5-keto-2-methyl-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylic acid ethyl ester Formula: C25H24ClNO5 MolecularWeight: 453.91476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClNO5/c1-5-31-18-12-14(11-17(26)24(18)30-4)20-19(25(29)32-6-2)13(3)27-22-15-9-7-8-10-16(15)23(28)21(20)22/h7-12,20-21H,5-6H2,1-4H3/t20-,21?/m0/s1