2-methylpropanoic acid; 5-[2-(propan-2-ylamino)ethyl]naphthalene-1,2-diol; hydrochloride

Systemtic Name: 2-methylpropanoic acid; 5-[2-(propan-2-ylamino)ethyl]naphthalene-1,2-diol; hydrochloride Openeye Name: 5-[2-(isopropylamino)ethyl]naphthalene-1,2-diol; 2-methylpropanoic acid; hydrochloride CAS Name: 2-methylpropanoic acid; 5-[2-(propan-2-ylamino)ethyl]naphthalene-1,2-diol; hydrochloride IUPAC Name: 2-methylpropanoic acid; 5-[2-(propan-2-ylamino)ethyl]naphthalene-1,2-diol; hydrochloride Traditional Name: isobutyric acid; 5-[2-(isopropylamino)ethyl]naphthalene-1,2-diol; hydrochloride Formula: C23H36ClNO6 MolecularWeight: 457.98804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)O.CC(C)C(=O)O.CC(C)NCCC1=CC=CC2=C1C=CC(=C2O)O.Cl

Isomeric SMILES

CC(C)C(=O)O.CC(C)C(=O)O.CC(C)NCCC1=CC=CC2=C1C=CC(=C2O)O.Cl

InChI

InChI=1S/C15H19NO2.2C4H8O2.ClH/c1-10(2)16-9-8-11-4-3-5-13-12(11)6-7-14(17)15(13)18;2*1-3(2)4(5)6;/h3-7,10,16-18H,8-9H2,1-2H3;2*3H,1-2H3,(H,5,6);1H