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

Systemtic Name: methyl 4-[(2-methylquinolin-4-yl)amino]benzoate; molecular hydrogen; hydrochloride Openeye Name: methyl 4-[(2-methyl-4-quinolyl)amino]benzoate; molecular hydrogen; hydrochloride CAS Name: 4-[(2-methyl-4-quinolinyl)amino]benzoic acid methyl ester; molecular hydrogen; hydrochloride IUPAC Name: methyl 4-[(2-methylquinolin-4-yl)amino]benzoate; molecular hydrogen; hydrochloride Traditional Name: 4-[(2-methyl-4-quinolyl)amino]benzoic acid methyl ester; molecular hydrogen; hydrochloride Formula: C18H19ClN2O2 MolecularWeight: 330.80866

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Descriptors Computed from Structure

Canonical SMILES:

[HH].CC1=NC2=CC=CC=C2C(=C1)NC3=CC=C(C=C3)C(=O)OC.Cl

Isomeric SMILES

[HH].CC1=NC2=CC=CC=C2C(=C1)NC3=CC=C(C=C3)C(=O)OC.Cl

InChI

InChI=1S/C18H16N2O2.ClH.H2/c1-12-11-17(15-5-3-4-6-16(15)19-12)20-14-9-7-13(8-10-14)18(21)22-2;;/h3-11H,1-2H3,(H,19,20);2*1H