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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=NC3=CC=CC=C3C=C2)C4=CSC5=CC=CC=C54

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=NC3=CC=CC=C3C=C2)C4=CSC5=CC=CC=C54

InChI

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