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

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

Systemtic Name:1-[1-benzothiophen-2-yl(quinolin-2-yl)methyl]piperidine-3-carboxylic acid
Openeye Name:1-[benzothiophen-2-yl(2-quinolyl)methyl]piperidine-3-carboxylic acid
CAS Name:1-[1-benzothiophen-2-yl(2-quinolinyl)methyl]-3-piperidinecarboxylic acid
IUPAC Name:1-[1-benzothiophen-2-yl(quinolin-2-yl)methyl]piperidine-3-carboxylic acid
Traditional Name:1-[benzothiophen-2-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=CC5=CC=CC=C5S4)C(=O)O


Isomeric SMILES

C1CC(CN(C1)C(C2=NC3=CC=CC=C3C=C2)C4=CC5=CC=CC=C5S4)C(=O)O


InChI

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


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