3-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)propanoic acid

Systemtic Name: 3-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)propanoic acid Openeye Name: 3-[1-(4-pyridyl)-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid CAS Name: 3-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)propanoic acid IUPAC Name: 3-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)propanoic acid Traditional Name: 3-[1-(4-pyridyl)-3,4-dihydro-1H-isoquinolin-2-yl]propionic acid Formula: C17H18N2O2 MolecularWeight: 282.33702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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