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

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

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

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=NC3=CC=CC=C3C=C2)C4=CSC5=CC=CC=C54


Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=NC3=CC=CC=C3C=C2)C4=CSC5=CC=CC=C54


InChI

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


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