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

Systemtic Name: ethyl 1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]cyclohexane-1-carboxylate Openeye Name: ethyl 1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]cyclohexanecarboxylate CAS Name: 1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]cyclohexane-1-carboxylate Traditional Name: 1-[3-(4-amidinobenzyl)-2-keto-1-methyl-quinoxalin-6-yl]cyclohexanecarboxylic acid ethyl ester Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCCC1)C2=CC3=C(C=C2)N(C(=O)C(=N3)CC4=CC=C(C=C4)C(=N)N)C

Isomeric SMILES

CCOC(=O)C1(CCCCC1)C2=CC3=C(C=C2)N(C(=O)C(=N3)CC4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C26H30N4O3/c1-3-33-25(32)26(13-5-4-6-14-26)19-11-12-22-20(16-19)29-21(24(31)30(22)2)15-17-7-9-18(10-8-17)23(27)28/h7-12,16H,3-6,13-15H2,1-2H3,(H3,27,28)