3-[3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]carbamoyloxymethyl]phenyl]propanoic acid

Systemtic Name: 3-[3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]carbamoyloxymethyl]phenyl]propanoic acid Openeye Name: 3-[3-[[4-(o-tolylcarbamoylamino)phenyl]carbamoyloxymethyl]phenyl]propanoic acid CAS Name: 3-[3-[[[4-[[(2-methylanilino)-oxomethyl]amino]anilino]-oxomethoxy]methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]carbamoyloxymethyl]phenyl]propanoic acid Traditional Name: 3-[3-[[4-(o-tolylcarbamoylamino)phenyl]carbamoyloxymethyl]phenyl]propionic acid Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)NC(=O)OCC3=CC=CC(=C3)CCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)NC(=O)OCC3=CC=CC(=C3)CCC(=O)O

InChI

InChI=1S/C25H25N3O5/c1-17-5-2-3-8-22(17)28-24(31)26-20-10-12-21(13-11-20)27-25(32)33-16-19-7-4-6-18(15-19)9-14-23(29)30/h2-8,10-13,15H,9,14,16H2,1H3,(H,27,32)(H,29,30)(H2,26,28,31)