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

Systemtic Name: 1-[1-benzothiophen-3-yl(isoquinolin-6-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl(6-isoquinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl(6-isoquinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl(isoquinolin-6-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-3-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=CSC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CSC5=CC=CC=C54)C(=O)O

InChI

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