4-[3-[[[4-[(2-methylphenyl)carbamoylamino]phenyl]-prop-2-enyl-carbamoyl]oxymethyl]phenoxy]butanoic acid

Systemtic Name: 4-[3-[[[4-[(2-methylphenyl)carbamoylamino]phenyl]-prop-2-enyl-carbamoyl]oxymethyl]phenoxy]butanoic acid Openeye Name: 4-[3-[[allyl-[4-(o-tolylcarbamoylamino)phenyl]carbamoyl]oxymethyl]phenoxy]butanoic acid CAS Name: 4-[3-[[[4-[[(2-methylanilino)-oxomethyl]amino]-N-prop-2-enylanilino]-oxomethoxy]methyl]phenoxy]butanoic acid IUPAC Name: 4-[3-[[[4-[(2-methylphenyl)carbamoylamino]phenyl]-prop-2-enylcarbamoyl]oxymethyl]phenoxy]butanoic acid Traditional Name: 4-[3-[[allyl-[4-(o-tolylcarbamoylamino)phenyl]carbamoyl]oxymethyl]phenoxy]butyric acid Formula: C29H31N3O6 MolecularWeight: 517.57294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)N(CC=C)C(=O)OCC3=CC(=CC=C3)OCCCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)N(CC=C)C(=O)OCC3=CC(=CC=C3)OCCCC(=O)O

InChI

InChI=1S/C29H31N3O6/c1-3-17-32(29(36)38-20-22-9-6-10-25(19-22)37-18-7-12-27(33)34)24-15-13-23(14-16-24)30-28(35)31-26-11-5-4-8-21(26)2/h3-6,8-11,13-16,19H,1,7,12,17-18,20H2,2H3,(H,33,34)(H2,30,31,35)