methyl 1-[4-(5-chloranyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[4-(5-chloranyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[4-[5-chloro-2-(2-quinolyl)-1H-indol-3-yl]butanoyl]piperidine-4-carboxylate CAS Name: 1-[4-[5-chloro-2-(2-quinolinyl)-1H-indol-3-yl]-1-oxobutyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[5-chloro-2-(2-quinolyl)-1H-indol-3-yl]butanoyl]isonipecotic acid methyl ester Formula: C28H28ClN3O3 MolecularWeight: 489.99322

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CCCC2=C(NC3=C2C=C(C=C3)Cl)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CCCC2=C(NC3=C2C=C(C=C3)Cl)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H28ClN3O3/c1-35-28(34)19-13-15-32(16-14-19)26(33)8-4-6-21-22-17-20(29)10-12-24(22)31-27(21)25-11-9-18-5-2-3-7-23(18)30-25/h2-3,5,7,9-12,17,19,31H,4,6,8,13-16H2,1H3