1-[isoquinolin-6-yl-(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[isoquinolin-6-yl-(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[6-isoquinolyl-(5-methyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[6-isoquinolinyl-(5-methyl-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl-(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[6-isoquinolyl-(5-methyl-2-thienyl)methyl]nipecotic acid Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C21H22N2O2S/c1-14-4-7-19(26-14)20(23-10-2-3-18(13-23)21(24)25)16-5-6-17-12-22-9-8-15(17)11-16/h4-9,11-12,18,20H,2-3,10,13H2,1H3,(H,24,25)