ethyl 2-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]-2-methyl-propanoate hydrochloride

Systemtic Name: ethyl 2-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]-2-methyl-propanoate hydrochloride Openeye Name: ethyl 2-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]-2-methyl-propanoate hydrochloride CAS Name: 2-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]-2-methylpropanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]-2-methylpropanoate hydrochloride Traditional Name: 2-[3-(4-amidinobenzyl)-2-keto-1-methyl-quinoxalin-6-yl]-2-methyl-propionic acid ethyl ester hydrochloride Formula: C23H27ClN4O3 MolecularWeight: 442.93848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)C1=CC2=C(C=C1)N(C(=O)C(=N2)CC3=CC=C(C=C3)C(=N)N)C.Cl

Isomeric SMILES

CCOC(=O)C(C)(C)C1=CC2=C(C=C1)N(C(=O)C(=N2)CC3=CC=C(C=C3)C(=N)N)C.Cl

InChI

InChI=1S/C23H26N4O3.ClH/c1-5-30-22(29)23(2,3)16-10-11-19-17(13-16)26-18(21(28)27(19)4)12-14-6-8-15(9-7-14)20(24)25;/h6-11,13H,5,12H2,1-4H3,(H3,24,25);1H