[2-[(4-azanyl-2-methyl-quinolin-6-yl)carbamoyl]phenyl]methyl benzenecarboperoxoate hydrochloride

Systemtic Name: [2-[(4-azanyl-2-methyl-quinolin-6-yl)carbamoyl]phenyl]methyl benzenecarboperoxoate hydrochloride Openeye Name: [2-[(4-amino-2-methyl-6-quinolyl)carbamoyl]phenyl]methyl benzenecarboperoxoate hydrochloride CAS Name: benzenecarboperoxoic acid [2-[[(4-amino-2-methyl-6-quinolinyl)amino]-oxomethyl]phenyl]methyl ester hydrochloride IUPAC Name: [2-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methyl benzenecarboperoxoate hydrochloride Traditional Name: benzenecarboperoxoic acid [2-[(4-amino-2-methyl-6-quinolyl)carbamoyl]benzyl] ester hydrochloride Formula: C25H22ClN3O4 MolecularWeight: 463.91288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3COOC(=O)C4=CC=CC=C4)C(=C1)N.Cl

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3COOC(=O)C4=CC=CC=C4)C(=C1)N.Cl

InChI

InChI=1S/C25H21N3O4.ClH/c1-16-13-22(26)21-14-19(11-12-23(21)27-16)28-24(29)20-10-6-5-9-18(20)15-31-32-25(30)17-7-3-2-4-8-17;/h2-14H,15H2,1H3,(H2,26,27)(H,28,29);1H