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

Systemtic Name: [6-ethoxy-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 4-tert-butylbenzoate Openeye Name: (3-benzoyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic 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 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (3-benzoyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C29H28N2O5 MolecularWeight: 484.54302

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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)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)C3=CC=CC=C3)COC(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C29H28N2O5/c1-5-35-22-15-16-23-25(17-22)31(34)26(27(32)19-9-7-6-8-10-19)24(30-23)18-36-28(33)20-11-13-21(14-12-20)29(2,3)4/h6-17H,5,18H2,1-4H3