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

Systemtic Name: 1-[isoquinolin-6-yl-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[6-isoquinolyl-(5-methyl-2-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[6-isoquinolinyl-(5-methyl-2-thiophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[6-isoquinolyl-(5-methyl-2-thienyl)methyl]pipecolinic 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)N4CCCCC4C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCCC4C(=O)O

InChI

InChI=1S/C21H22N2O2S/c1-14-5-8-19(26-14)20(23-11-3-2-4-18(23)21(24)25)16-6-7-17-13-22-10-9-15(17)12-16/h5-10,12-13,18,20H,2-4,11H2,1H3,(H,24,25)