(E)-3-[4-[[2-(4-fluorophenyl)-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[[2-(4-fluorophenyl)-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[[6-benzyloxy-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[2-(4-fluorophenyl)-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[[2-(4-fluorophenyl)-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[[6-benzoxy-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]acrylic acid Formula: C32H28FNO3 MolecularWeight: 493.568023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC4=CC=C(C=C4)C=CC(=O)O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(C(C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC4=CC=C(C=C4)/C=C/C(=O)O)C5=CC=C(C=C5)F

InChI

InChI=1S/C32H28FNO3/c33-27-11-13-28(14-12-27)34-19-18-26-21-29(37-22-25-4-2-1-3-5-25)15-16-30(26)31(34)20-24-8-6-23(7-9-24)10-17-32(35)36/h1-17,21,31H,18-20,22H2,(H,35,36)/b17-10+