4-[2-[2,3-bis(4-methylphenyl)quinoxalin-6-yl]carbonyloxypropanoylamino]benzoic acid

Systemtic Name: 4-[2-[2,3-bis(4-methylphenyl)quinoxalin-6-yl]carbonyloxypropanoylamino]benzoic acid Openeye Name: 4-[2-[2,3-bis(p-tolyl)quinoxaline-6-carbonyl]oxypropanoylamino]benzoic acid CAS Name: 4-[[2-[[2,3-bis(4-methylphenyl)-6-quinoxalinyl]-oxomethoxy]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[2-[2,3-bis(4-methylphenyl)quinoxaline-6-carbonyl]oxypropanoylamino]benzoic acid Traditional Name: 4-[2-[2,3-bis(p-tolyl)quinoxaline-6-carbonyl]oxypropanoylamino]benzoic acid Formula: C33H27N3O5 MolecularWeight: 545.58458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(=O)OC(C)C(=O)NC4=CC=C(C=C4)C(=O)O)N=C2C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(=O)OC(C)C(=O)NC4=CC=C(C=C4)C(=O)O)N=C2C5=CC=C(C=C5)C

InChI

InChI=1S/C33H27N3O5/c1-19-4-8-22(9-5-19)29-30(23-10-6-20(2)7-11-23)36-28-18-25(14-17-27(28)35-29)33(40)41-21(3)31(37)34-26-15-12-24(13-16-26)32(38)39/h4-18,21H,1-3H3,(H,34,37)(H,38,39)