ethyl 3-[[2-[(4-carbamimidoylphenyl)amino]-4-methyl-quinolin-7-yl]-ethyl-amino]-3-oxidanylidene-propanoate hydrochloride

Systemtic Name: ethyl 3-[[2-[(4-carbamimidoylphenyl)amino]-4-methyl-quinolin-7-yl]-ethyl-amino]-3-oxidanylidene-propanoate hydrochloride Openeye Name: ethyl 3-[[2-(4-carbamimidoylanilino)-4-methyl-7-quinolyl]-ethyl-amino]-3-oxo-propanoate hydrochloride CAS Name: 3-[[2-(4-carbamimidoylanilino)-4-methyl-7-quinolinyl]-ethylamino]-3-oxopropanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 3-[[2-(4-carbamimidoylanilino)-4-methylquinolin-7-yl]-ethylamino]-3-oxopropanoate hydrochloride Traditional Name: 3-[[2-(4-amidinoanilino)-4-methyl-7-quinolyl]-ethyl-amino]-3-keto-propionic acid ethyl ester hydrochloride Formula: C24H28ClN5O3 MolecularWeight: 469.96382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC2=C(C=C1)C(=CC(=N2)NC3=CC=C(C=C3)C(=N)N)C)C(=O)CC(=O)OCC.Cl

Isomeric SMILES

CCN(C1=CC2=C(C=C1)C(=CC(=N2)NC3=CC=C(C=C3)C(=N)N)C)C(=O)CC(=O)OCC.Cl

InChI

InChI=1S/C24H27N5O3.ClH/c1-4-29(22(30)14-23(31)32-5-2)18-10-11-19-15(3)12-21(28-20(19)13-18)27-17-8-6-16(7-9-17)24(25)26;/h6-13H,4-5,14H2,1-3H3,(H3,25,26)(H,27,28);1H