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

Systemtic Name: 3-[2-[2,3-bis(4-methylphenyl)quinoxalin-6-yl]carbonyloxybutanoylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[2-[2,3-bis(p-tolyl)quinoxaline-6-carbonyl]oxybutanoylamino]-4-chloro-benzoic acid CAS Name: 3-[[2-[[2,3-bis(4-methylphenyl)-6-quinoxalinyl]-oxomethoxy]-1-oxobutyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[2-[2,3-bis(4-methylphenyl)quinoxaline-6-carbonyl]oxybutanoylamino]-4-chlorobenzoic acid Traditional Name: 3-[2-[2,3-bis(p-tolyl)quinoxaline-6-carbonyl]oxybutanoylamino]-4-chloro-benzoic acid Formula: C34H28ClN3O5 MolecularWeight: 594.05622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)OC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=C(C=C4)C)C5=CC=C(C=C5)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)OC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=C(C=C4)C)C5=CC=C(C=C5)C

InChI

InChI=1S/C34H28ClN3O5/c1-4-29(32(39)38-27-17-23(33(40)41)13-15-25(27)35)43-34(42)24-14-16-26-28(18-24)37-31(22-11-7-20(3)8-12-22)30(36-26)21-9-5-19(2)6-10-21/h5-18,29H,4H2,1-3H3,(H,38,39)(H,40,41)