[6-ethoxy-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl cyclohexanecarboxylate

Systemtic Name: [6-ethoxy-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl cyclohexanecarboxylate Openeye Name: (3-benzoyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid (3-benzoyl-6-ethoxy-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid (3-benzoyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C25H26N2O5 MolecularWeight: 434.48434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)C3=CC=CC=C3)COC(=O)C4CCCCC4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)C3=CC=CC=C3)COC(=O)C4CCCCC4

InChI

InChI=1S/C25H26N2O5/c1-2-31-19-13-14-20-22(15-19)27(30)23(24(28)17-9-5-3-6-10-17)21(26-20)16-32-25(29)18-11-7-4-8-12-18/h3,5-6,9-10,13-15,18H,2,4,7-8,11-12,16H2,1H3