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

Systemtic Name: 2-[[2-cyclopentylcarbonyl-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethanoic acid Openeye Name: 2-[[2-(cyclopentanecarbonyl)-1-(m-tolyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]acetic acid CAS Name: 2-[[2-[cyclopentyl(oxo)methyl]-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]acetic acid IUPAC Name: 2-[[2-(cyclopentanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]acetic acid Traditional Name: 2-[[2-(cyclopentanecarbonyl)-1-(m-tolyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]acetic acid Formula: C24H27NO4 MolecularWeight: 393.47548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO4/c1-16-5-4-8-19(13-16)23-21-14-20(29-15-22(26)27)10-9-17(21)11-12-25(23)24(28)18-6-2-3-7-18/h4-5,8-10,13-14,18,23H,2-3,6-7,11-12,15H2,1H3,(H,26,27)