2-[[1-phenyl-2-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]butanoic acid

Systemtic Name: 2-[[1-phenyl-2-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]butanoic acid Openeye Name: 2-[(2-benzyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]butanoic acid CAS Name: 2-[[1-phenyl-2-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]butanoic acid IUPAC Name: 2-[(2-benzyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]butanoic acid Traditional Name: 2-[(2-benzyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]butyric acid Formula: C26H27NO3 MolecularWeight: 401.49748

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=CC2=C(CCN(C2C3=CC=CC=C3)CC4=CC=CC=C4)C=C1

Isomeric SMILES

CCC(C(=O)O)OC1=CC2=C(CCN(C2C3=CC=CC=C3)CC4=CC=CC=C4)C=C1

InChI

InChI=1S/C26H27NO3/c1-2-24(26(28)29)30-22-14-13-20-15-16-27(18-19-9-5-3-6-10-19)25(23(20)17-22)21-11-7-4-8-12-21/h3-14,17,24-25H,2,15-16,18H2,1H3,(H,28,29)