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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=NC3=CC=CC=C3C=C2)C4=CSC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=NC3=CC=CC=C3C=C2)C4=CSC5=CC=CC=C54)C(=O)O

InChI

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