3-[6-[[3-ethyl-4-(3-methylphenyl)phenoxy]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid

Systemtic Name: 3-[6-[[3-ethyl-4-(3-methylphenyl)phenoxy]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Openeye Name: 3-[6-[[3-ethyl-4-(m-tolyl)phenoxy]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid CAS Name: 3-[6-[[3-ethyl-4-(3-methylphenyl)phenoxy]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid IUPAC Name: 3-[6-[[3-ethyl-4-(3-methylphenyl)phenoxy]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Traditional Name: 3-[6-[[3-ethyl-4-(m-tolyl)phenoxy]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]propionic acid Formula: C28H31NO3 MolecularWeight: 429.55064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OCC2=CC3=C(CN(CC3)CCC(=O)O)C=C2)C4=CC(=CC=C4)C

Isomeric SMILES

CCC1=C(C=CC(=C1)OCC2=CC3=C(CN(CC3)CCC(=O)O)C=C2)C4=CC(=CC=C4)C

InChI

InChI=1S/C28H31NO3/c1-3-22-17-26(9-10-27(22)24-6-4-5-20(2)15-24)32-19-21-7-8-25-18-29(14-12-28(30)31)13-11-23(25)16-21/h4-10,15-17H,3,11-14,18-19H2,1-2H3,(H,30,31)