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

Systemtic Name: 1-[1-benzothiophen-3-yl(isoquinolin-6-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl(6-isoquinolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl(6-isoquinolinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl(isoquinolin-6-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl(6-isoquinolyl)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=CC3=C(C=C2)C=NC=C3)C4=CSC5=CC=CC=C54

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=CSC5=CC=CC=C54

InChI

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