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

Systemtic Name: 1-[1-benzothiophen-2-yl(isoquinolin-6-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl(6-isoquinolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl(6-isoquinolinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl(isoquinolin-6-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-2-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=CC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC5=CC=CC=C5S4

InChI

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