[4-[(3-aminocarbonyl-8-ethyl-quinolin-2-yl)amino]-3-methyl-phenyl] ethanoate hydrochloride

Systemtic Name: [4-[(3-aminocarbonyl-8-ethyl-quinolin-2-yl)amino]-3-methyl-phenyl] ethanoate hydrochloride Openeye Name: [4-[(3-carbamoyl-8-ethyl-2-quinolyl)amino]-3-methyl-phenyl] acetate hydrochloride CAS Name: acetic acid [4-[(3-carbamoyl-8-ethyl-2-quinolinyl)amino]-3-methylphenyl] ester hydrochloride IUPAC Name: [4-[(3-carbamoyl-8-ethylquinolin-2-yl)amino]-3-methylphenyl] acetate hydrochloride Traditional Name: acetic acid [4-[(3-carbamoyl-8-ethyl-2-quinolyl)amino]-3-methyl-phenyl] ester hydrochloride Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=CC(=C(N=C21)NC3=C(C=C(C=C3)OC(=O)C)C)C(=O)N.Cl

Isomeric SMILES

CCC1=CC=CC2=CC(=C(N=C21)NC3=C(C=C(C=C3)OC(=O)C)C)C(=O)N.Cl

InChI

InChI=1S/C21H21N3O3.ClH/c1-4-14-6-5-7-15-11-17(20(22)26)21(24-19(14)15)23-18-9-8-16(10-12(18)2)27-13(3)25;/h5-11H,4H2,1-3H3,(H2,22,26)(H,23,24);1H