4-[3-(3-methylbutoxy)-5-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoylamino]phenoxy]butanoic acid

Systemtic Name: 4-[3-(3-methylbutoxy)-5-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoylamino]phenoxy]butanoic acid Openeye Name: 4-[3-isopentyloxy-5-[[2-[4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]phenoxy]butanoic acid CAS Name: 4-[3-[[2-[4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-1-oxoethyl]amino]-5-(3-methylbutoxy)phenoxy]butanoic acid IUPAC Name: 4-[3-(3-methylbutoxy)-5-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]phenoxy]butanoic acid Traditional Name: 4-[3-isoamoxy-5-[[2-[4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]phenoxy]butyric acid Formula: C31H37N3O6 MolecularWeight: 547.64198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)NC3=CC(=CC(=C3)OCCC(C)C)OCCCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)NC3=CC(=CC(=C3)OCCC(C)C)OCCCC(=O)O

InChI

InChI=1S/C31H37N3O6/c1-21(2)14-16-40-27-19-25(18-26(20-27)39-15-6-9-30(36)37)32-29(35)17-23-10-12-24(13-11-23)33-31(38)34-28-8-5-4-7-22(28)3/h4-5,7-8,10-13,18-21H,6,9,14-17H2,1-3H3,(H,32,35)(H,36,37)(H2,33,34,38)