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

Systemtic Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]oxy-2-methyl-propanoic acid Openeye Name: 2-[[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]oxy]-2-methyl-propanoic acid CAS Name: 2-[[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]oxy]-2-methylpropanoic acid IUPAC Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]oxy-2-methylpropanoic acid Traditional Name: 2-[[3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]oxy]-2-methyl-propionic acid Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O4/c1-15(2)14-26-20(13-25)21(16-8-6-5-7-9-16)19-12-17(10-11-18(19)22(26)27)30-24(3,4)23(28)29/h5-12,15H,13-14,25H2,1-4H3,(H,28,29)