3-[4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]phenyl]propanoic acid

Systemtic Name: 3-[4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]phenyl]propanoic acid Openeye Name: 3-[4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]phenyl]propanoic acid CAS Name: 3-[4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]phenyl]propanoic acid IUPAC Name: 3-[4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]phenyl]propanoic acid Traditional Name: 3-[4-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzyl]oxyphenyl]propionic acid Formula: C26H27NO3 MolecularWeight: 401.49748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)COC4=CC=C(C=C4)CCC(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)COC4=CC=C(C=C4)CCC(=O)O

InChI

InChI=1S/C26H27NO3/c28-26(29)14-11-20-9-12-25(13-10-20)30-19-22-7-5-21(6-8-22)17-27-16-15-23-3-1-2-4-24(23)18-27/h1-10,12-13H,11,14-19H2,(H,28,29)