2-(2-pyridin-4-ylethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(2-pyridin-4-ylethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[2-(4-pyridyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(1-oxo-2-pyridin-4-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(2-pyridin-4-ylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[2-(4-pyridyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C17H16N2O3 MolecularWeight: 296.32054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)CC3=CC=NC=C3)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)CC3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C17H16N2O3/c20-16(9-12-5-7-18-8-6-12)19-11-14-4-2-1-3-13(14)10-15(19)17(21)22/h1-8,15H,9-11H2,(H,21,22)