butyl 4-[(2-methylquinolin-4-yl)amino]benzoate; molecular hydrogen; hydrochloride

Systemtic Name: butyl 4-[(2-methylquinolin-4-yl)amino]benzoate; molecular hydrogen; hydrochloride Openeye Name: butyl 4-[(2-methyl-4-quinolyl)amino]benzoate; molecular hydrogen; hydrochloride CAS Name: 4-[(2-methyl-4-quinolinyl)amino]benzoic acid butyl ester; molecular hydrogen; hydrochloride IUPAC Name: butyl 4-[(2-methylquinolin-4-yl)amino]benzoate; molecular hydrogen; hydrochloride Traditional Name: 4-[(2-methyl-4-quinolyl)amino]benzoic acid butyl ester; molecular hydrogen; hydrochloride Formula: C21H25ClN2O2 MolecularWeight: 372.8884

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Descriptors Computed from Structure

Canonical SMILES:

[HH].CCCCOC(=O)C1=CC=C(C=C1)NC2=CC(=NC3=CC=CC=C32)C.Cl

Isomeric SMILES

[HH].CCCCOC(=O)C1=CC=C(C=C1)NC2=CC(=NC3=CC=CC=C32)C.Cl

InChI

InChI=1S/C21H22N2O2.ClH.H2/c1-3-4-13-25-21(24)16-9-11-17(12-10-16)23-20-14-15(2)22-19-8-6-5-7-18(19)20;;/h5-12,14H,3-4,13H2,1-2H3,(H,22,23);2*1H