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

Systemtic Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenoxy]ethanoic acid Openeye Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenoxy]acetic acid CAS Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenoxy]acetic acid IUPAC Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenoxy]acetic acid Traditional Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenoxy]acetic acid Formula: C18H19NO3 MolecularWeight: 297.34836

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=CC(=CC=C3)OCC(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=CC(=CC=C3)OCC(=O)O

InChI

InChI=1S/C18H19NO3/c20-18(21)13-22-17-7-3-4-14(10-17)11-19-9-8-15-5-1-2-6-16(15)12-19/h1-7,10H,8-9,11-13H2,(H,20,21)