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

Systemtic Name: [6-methoxy-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 4-tert-butylbenzoate Openeye Name: (3-benzoyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid (3-benzoyl-6-methoxy-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (3-benzoyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C28H26N2O5 MolecularWeight: 470.51644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC2=NC3=C(C=C(C=C3)OC)[N+](=C2C(=O)C4=CC=CC=C4)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC2=NC3=C(C=C(C=C3)OC)[N+](=C2C(=O)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C28H26N2O5/c1-28(2,3)20-12-10-19(11-13-20)27(32)35-17-23-25(26(31)18-8-6-5-7-9-18)30(33)24-16-21(34-4)14-15-22(24)29-23/h5-16H,17H2,1-4H3