(5-methyl-2-propan-2-yl-phenyl) 6-(aminomethyl)pyridine-3-carboxylate dihydrochloride

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 6-(aminomethyl)pyridine-3-carboxylate dihydrochloride Openeye Name: (2-isopropyl-5-methyl-phenyl) 6-(aminomethyl)pyridine-3-carboxylate dihydrochloride CAS Name: 6-(aminomethyl)-3-pyridinecarboxylic acid (5-methyl-2-propan-2-ylphenyl) ester dihydrochloride IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 6-(aminomethyl)pyridine-3-carboxylate dihydrochloride Traditional Name: 6-(aminomethyl)nicotinic acid (2-isopropyl-5-methyl-phenyl) ester dihydrochloride Formula: C17H22Cl2N2O2 MolecularWeight: 357.27478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=CN=C(C=C2)CN.Cl.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=CN=C(C=C2)CN.Cl.Cl

InChI

InChI=1S/C17H20N2O2.2ClH/c1-11(2)15-7-4-12(3)8-16(15)21-17(20)13-5-6-14(9-18)19-10-13;;/h4-8,10-11H,9,18H2,1-3H3;2*1H