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

Systemtic Name: methyl 1-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[4-[5-methyl-2-(2-quinolyl)-1H-indol-3-yl]butanoyl]piperidine-4-carboxylate CAS Name: 1-[4-[5-methyl-2-(2-quinolinyl)-1H-indol-3-yl]-1-oxobutyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[5-methyl-2-(2-quinolyl)-1H-indol-3-yl]butanoyl]isonipecotic acid methyl ester Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CCCC(=O)N3CCC(CC3)C(=O)OC)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCCC(=O)N3CCC(CC3)C(=O)OC)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H31N3O3/c1-19-10-12-25-23(18-19)22(28(31-25)26-13-11-20-6-3-4-8-24(20)30-26)7-5-9-27(33)32-16-14-21(15-17-32)29(34)35-2/h3-4,6,8,10-13,18,21,31H,5,7,9,14-17H2,1-2H3