3-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoyl]-4-(phenylcarbonyl)-2,3-dihydroquinoxalin-6-yl]butanoic acid

Systemtic Name: 3-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoyl]-4-(phenylcarbonyl)-2,3-dihydroquinoxalin-6-yl]butanoic acid Openeye Name: 3-[4-benzoyl-1-[2-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]acetyl]-2,3-dihydroquinoxalin-6-yl]butanoic acid CAS Name: 3-[4-benzoyl-1-[2-[3-methoxy-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-1-oxoethyl]-2,3-dihydroquinoxalin-6-yl]butanoic acid IUPAC Name: 3-[4-benzoyl-1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3-dihydroquinoxalin-6-yl]butanoic acid Traditional Name: 3-[4-benzoyl-1-[2-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]acetyl]-2,3-dihydroquinoxalin-6-yl]butyric acid Formula: C36H36N4O6 MolecularWeight: 620.69424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)N3CCN(C4=C3C=CC(=C4)C(C)CC(=O)O)C(=O)C5=CC=CC=C5)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)N3CCN(C4=C3C=CC(=C4)C(C)CC(=O)O)C(=O)C5=CC=CC=C5)OC

InChI

InChI=1S/C36H36N4O6/c1-23-9-7-8-12-28(23)37-36(45)38-29-15-13-25(20-32(29)46-3)21-33(41)39-17-18-40(35(44)26-10-5-4-6-11-26)31-22-27(14-16-30(31)39)24(2)19-34(42)43/h4-16,20,22,24H,17-19,21H2,1-3H3,(H,42,43)(H2,37,38,45)