2-methylpropanoic acid; 1-methyl-7-(2-pyrrolidin-1-ylethyl)naphthalene-2,3-diol; hydrochloride

Systemtic Name: 2-methylpropanoic acid; 1-methyl-7-(2-pyrrolidin-1-ylethyl)naphthalene-2,3-diol; hydrochloride Openeye Name: 2-methylpropanoic acid; 1-methyl-7-(2-pyrrolidin-1-ylethyl)naphthalene-2,3-diol; hydrochloride CAS Name: 2-methylpropanoic acid; 1-methyl-7-[2-(1-pyrrolidinyl)ethyl]naphthalene-2,3-diol; hydrochloride IUPAC Name: 2-methylpropanoic acid; 1-methyl-7-(2-pyrrolidin-1-ylethyl)naphthalene-2,3-diol; hydrochloride Traditional Name: isobutyric acid; 1-methyl-7-(2-pyrrolidinoethyl)naphthalene-2,3-diol; hydrochloride Formula: C25H38ClNO6 MolecularWeight: 484.02532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C=CC2=CC(=C1O)O)CCN3CCCC3.CC(C)C(=O)O.CC(C)C(=O)O.Cl

Isomeric SMILES

CC1=C2C=C(C=CC2=CC(=C1O)O)CCN3CCCC3.CC(C)C(=O)O.CC(C)C(=O)O.Cl

InChI

InChI=1S/C17H21NO2.2C4H8O2.ClH/c1-12-15-10-13(6-9-18-7-2-3-8-18)4-5-14(15)11-16(19)17(12)20;2*1-3(2)4(5)6;/h4-5,10-11,19-20H,2-3,6-9H2,1H3;2*3H,1-2H3,(H,5,6);1H