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

Systemtic Name: methyl 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]oxy-2-methyl-propanoate hydrochloride Openeye Name: methyl 2-[[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]oxy]-2-methyl-propanoate hydrochloride CAS Name: 2-[[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]oxy]-2-methylpropanoic acid methyl ester hydrochloride IUPAC Name: methyl 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]oxy-2-methylpropanoate hydrochloride Traditional Name: 2-[[3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]oxy]-2-methyl-propionic acid methyl ester hydrochloride Formula: C25H31ClN2O4 MolecularWeight: 458.97764

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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)OC)C3=CC=CC=C3)CN.Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O4.ClH/c1-16(2)15-27-21(14-26)22(17-9-7-6-8-10-17)20-13-18(11-12-19(20)23(27)28)31-25(3,4)24(29)30-5;/h6-13,16H,14-15,26H2,1-5H3;1H