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

Systemtic Name: 3-[4-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methoxy]phenyl]propanoic acid Openeye Name: 3-[4-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methoxy]phenyl]propanoic acid CAS Name: 3-[4-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methoxy]phenyl]propanoic acid IUPAC Name: 3-[4-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methoxy]phenyl]propanoic acid Traditional Name: 3-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)benzyl]oxyphenyl]propionic acid Formula: C25H25NO3 MolecularWeight: 387.4709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO3/c27-25(28)13-10-19-8-11-24(12-9-19)29-18-20-4-3-7-23(16-20)26-15-14-21-5-1-2-6-22(21)17-26/h1-9,11-12,16H,10,13-15,17-18H2,(H,27,28)