2-[[2-cyclopentylcarbonyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propanoic acid

Systemtic Name: 2-[[2-cyclopentylcarbonyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propanoic acid Openeye Name: 2-[[2-(cyclopentanecarbonyl)-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propanoic acid CAS Name: 2-[[2-[cyclopentyl(oxo)methyl]-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propanoic acid IUPAC Name: 2-[[2-(cyclopentanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propanoic acid Traditional Name: 2-[[2-(cyclopentanecarbonyl)-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propionic acid Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=C(CCN2C(=O)C4CCCC4)C=CC(=C3)OC(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=C(CCN2C(=O)C4CCCC4)C=CC(=C3)OC(C)C(=O)O

InChI

InChI=1S/C25H29NO4/c1-16-7-9-19(10-8-16)23-22-15-21(30-17(2)25(28)29)12-11-18(22)13-14-26(23)24(27)20-5-3-4-6-20/h7-12,15,17,20,23H,3-6,13-14H2,1-2H3,(H,28,29)