2-[[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]phenoxy]methyl]benzoic acid

Systemtic Name: 2-[[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]phenoxy]methyl]benzoic acid Openeye Name: 2-[[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]phenoxy]methyl]benzoic acid CAS Name: 2-[[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]phenoxy]methyl]benzoic acid IUPAC Name: 2-[[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]phenoxy]methyl]benzoic acid Traditional Name: 2-[[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]phenoxy]methyl]benzoic acid Formula: C26H25NO4 MolecularWeight: 415.481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCC3=CC=C(C=C3)OCC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCC3=CC=C(C=C3)OCC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C26H25NO4/c28-25(27-16-15-20-5-1-2-6-21(20)17-27)14-11-19-9-12-23(13-10-19)31-18-22-7-3-4-8-24(22)26(29)30/h1-10,12-13H,11,14-18H2,(H,29,30)