2-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 2-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid Openeye Name: 2-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)-1-piperidyl]pyridine-3-carboxylic acid CAS Name: 2-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)-1-piperidinyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid Traditional Name: 2-[4-(1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)piperidino]nicotinic acid Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC2=CC3=C(CCNC3)C=C2)C4=C(C=CC=N4)C(=O)O

Isomeric SMILES

C1CN(CCC1COC2=CC3=C(CCNC3)C=C2)C4=C(C=CC=N4)C(=O)O

InChI

InChI=1S/C21H25N3O3/c25-21(26)19-2-1-8-23-20(19)24-10-6-15(7-11-24)14-27-18-4-3-16-5-9-22-13-17(16)12-18/h1-4,8,12,15,22H,5-7,9-11,13-14H2,(H,25,26)