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

Systemtic Name: 3-[2-[2,3-bis(4-methylphenyl)quinoxalin-6-yl]carbonyloxypropanoylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[2-[2,3-bis(p-tolyl)quinoxaline-6-carbonyl]oxypropanoylamino]-4-chloro-benzoic acid CAS Name: 3-[[2-[[2,3-bis(4-methylphenyl)-6-quinoxalinyl]-oxomethoxy]-1-oxopropyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[2-[2,3-bis(4-methylphenyl)quinoxaline-6-carbonyl]oxypropanoylamino]-4-chlorobenzoic acid Traditional Name: 3-[2-[2,3-bis(p-tolyl)quinoxaline-6-carbonyl]oxypropanoylamino]-4-chloro-benzoic acid Formula: C33H26ClN3O5 MolecularWeight: 580.02964

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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=C(C=CC(=C4)C(=O)O)Cl)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=C(C=CC(=C4)C(=O)O)Cl)N=C2C5=CC=C(C=C5)C

InChI

InChI=1S/C33H26ClN3O5/c1-18-4-8-21(9-5-18)29-30(22-10-6-19(2)7-11-22)36-28-17-24(13-15-26(28)35-29)33(41)42-20(3)31(38)37-27-16-23(32(39)40)12-14-25(27)34/h4-17,20H,1-3H3,(H,37,38)(H,39,40)