1-[1-benzothiophen-2-yl(isoquinolin-6-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-2-yl(isoquinolin-6-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl(6-isoquinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl(6-isoquinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl(isoquinolin-6-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl(6-isoquinolyl)methyl]nipecotic acid Formula: C24H22N2O2S MolecularWeight: 402.50868

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC5=CC=CC=C5S4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC5=CC=CC=C5S4)C(=O)O

InChI

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