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

Systemtic Name: 2-[[2-(2-methylpropanoyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethanoic acid Openeye Name: 2-[[2-(2-methylpropanoyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]acetic acid CAS Name: 2-[[2-(2-methyl-1-oxopropyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]acetic acid IUPAC Name: 2-[[2-(2-methylpropanoyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]acetic acid Traditional Name: 2-[(2-isobutyryl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]acetic acid Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC2=C(C1C3=CC=CC=C3)C=C(C=C2)OCC(=O)O

Isomeric SMILES

CC(C)C(=O)N1CCC2=C(C1C3=CC=CC=C3)C=C(C=C2)OCC(=O)O

InChI

InChI=1S/C21H23NO4/c1-14(2)21(25)22-11-10-15-8-9-17(26-13-19(23)24)12-18(15)20(22)16-6-4-3-5-7-16/h3-9,12,14,20H,10-11,13H2,1-2H3,(H,23,24)