1-[1-benzothiophen-3-yl(isoquinolin-6-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl(isoquinolin-6-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl(6-isoquinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl(6-isoquinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl(isoquinolin-6-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl(6-isoquinolyl)methyl]isonipecotic acid Formula: C24H22N2O2S MolecularWeight: 402.50868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=CSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=CSC5=CC=CC=C54

InChI

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