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

Systemtic Name: ethyl 4-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]-cyclopentyl-amino]-4-oxidanylidene-butanoate hydrochloride Openeye Name: ethyl 4-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]-cyclopentyl-amino]-4-oxo-butanoate hydrochloride CAS Name: 4-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]-cyclopentylamino]-4-oxobutanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]-cyclopentylamino]-4-oxobutanoate hydrochloride Traditional Name: 4-[[3-(4-amidinobenzyl)-2-keto-1-methyl-quinoxalin-6-yl]-cyclopentyl-amino]-4-keto-butyric acid ethyl ester hydrochloride Formula: C28H34ClN5O4 MolecularWeight: 540.05366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N(C1CCCC1)C2=CC3=C(C=C2)N(C(=O)C(=N3)CC4=CC=C(C=C4)C(=N)N)C.Cl

Isomeric SMILES

CCOC(=O)CCC(=O)N(C1CCCC1)C2=CC3=C(C=C2)N(C(=O)C(=N3)CC4=CC=C(C=C4)C(=N)N)C.Cl

InChI

InChI=1S/C28H33N5O4.ClH/c1-3-37-26(35)15-14-25(34)33(20-6-4-5-7-20)21-12-13-24-22(17-21)31-23(28(36)32(24)2)16-18-8-10-19(11-9-18)27(29)30;/h8-13,17,20H,3-7,14-16H2,1-2H3,(H3,29,30);1H