2-[1-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[1-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanoic acid Openeye Name: 2-[1-(4-pyridylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid CAS Name: 2-[1-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid IUPAC Name: 2-[1-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid Traditional Name: 2-[1-(4-pyridylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid Formula: C17H18N2O2 MolecularWeight: 282.33702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC3=CC=NC=C3)CC(=O)O

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC3=CC=NC=C3)CC(=O)O

InChI

InChI=1S/C17H18N2O2/c20-17(21)12-19-10-7-14-3-1-2-4-15(14)16(19)11-13-5-8-18-9-6-13/h1-6,8-9,16H,7,10-12H2,(H,20,21)