2-[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenoxy]ethanoic acid

Systemtic Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenoxy]ethanoic acid Openeye Name: 2-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenoxy]acetic acid CAS Name: 2-[3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenoxy]acetic acid IUPAC Name: 2-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenoxy]acetic acid Traditional Name: 2-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenoxy]acetic acid Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)OCC(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)OCC(=O)O

InChI

InChI=1S/C18H17NO4/c20-17(21)12-23-16-7-3-6-14(10-16)18(22)19-9-8-13-4-1-2-5-15(13)11-19/h1-7,10H,8-9,11-12H2,(H,20,21)