methyl 3-[(7-chloranyl-2-methyl-quinolin-4-yl)amino]benzoate; molecular hydrogen; hydrochloride

Systemtic Name: methyl 3-[(7-chloranyl-2-methyl-quinolin-4-yl)amino]benzoate; molecular hydrogen; hydrochloride Openeye Name: methyl 3-[(7-chloro-2-methyl-4-quinolyl)amino]benzoate; molecular hydrogen; hydrochloride CAS Name: 3-[(7-chloro-2-methyl-4-quinolinyl)amino]benzoic acid methyl ester; molecular hydrogen; hydrochloride IUPAC Name: methyl 3-[(7-chloro-2-methylquinolin-4-yl)amino]benzoate; molecular hydrogen; hydrochloride Traditional Name: 3-[(7-chloro-2-methyl-4-quinolyl)amino]benzoic acid methyl ester; molecular hydrogen; hydrochloride Formula: C18H18Cl2N2O2 MolecularWeight: 365.25372

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Descriptors Computed from Structure

Canonical SMILES:

[HH].CC1=NC2=C(C=CC(=C2)Cl)C(=C1)NC3=CC=CC(=C3)C(=O)OC.Cl

Isomeric SMILES

[HH].CC1=NC2=C(C=CC(=C2)Cl)C(=C1)NC3=CC=CC(=C3)C(=O)OC.Cl

InChI

InChI=1S/C18H15ClN2O2.ClH.H2/c1-11-8-16(15-7-6-13(19)10-17(15)20-11)21-14-5-3-4-12(9-14)18(22)23-2;;/h3-10H,1-2H3,(H,20,21);2*1H