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

Systemtic Name: ethyl 4-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]-cyclopentyl-amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]-cyclopentyl-amino]-4-oxo-butanoate CAS Name: 4-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]-cyclopentylamino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]-cyclopentylamino]-4-oxobutanoate Traditional Name: 4-[[3-(4-amidinobenzyl)-2-keto-1-methyl-quinoxalin-6-yl]-cyclopentyl-amino]-4-keto-butyric acid ethyl ester Formula: C28H33N5O4 MolecularWeight: 503.59272

Click to see the large picture

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

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

InChI

InChI=1S/C28H33N5O4/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)