1-[1-benzothiophen-2-yl(quinolin-4-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-2-yl(quinolin-4-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl(4-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl(4-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl(quinolin-4-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl(4-quinolyl)methyl]nipecotic acid Formula: C24H22N2O2S MolecularWeight: 402.50868

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=NC3=CC=CC=C23)C4=CC5=CC=CC=C5S4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=NC3=CC=CC=C23)C4=CC5=CC=CC=C5S4)C(=O)O

InChI

InChI=1S/C24H22N2O2S/c27-24(28)17-7-5-13-26(15-17)23(22-14-16-6-1-4-10-21(16)29-22)19-11-12-25-20-9-3-2-8-18(19)20/h1-4,6,8-12,14,17,23H,5,7,13,15H2,(H,27,28)