2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]oxyethanoic acid

Systemtic Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]oxyethanoic acid Openeye Name: 2-[[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]oxy]acetic acid CAS Name: 2-[[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]oxy]acetic acid IUPAC Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]oxyacetic acid Traditional Name: 2-[[3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]oxy]acetic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC(=O)O)C3=CC=CC=C3)CN

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC(=O)O)C3=CC=CC=C3)CN

InChI

InChI=1S/C22H24N2O4/c1-14(2)12-24-19(11-23)21(15-6-4-3-5-7-15)18-10-16(28-13-20(25)26)8-9-17(18)22(24)27/h3-10,14H,11-13,23H2,1-2H3,(H,25,26)