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

Systemtic Name: 2-[[4-[3-[(4-methylphenyl)carbamoylamino]propoxy]phenyl]methyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-[4-[3-(p-tolylcarbamoylamino)propoxy]phenyl]propanoic acid CAS Name: 2-[[4-[3-[[(4-methylanilino)-oxomethyl]amino]propoxy]phenyl]methyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-[4-[3-[(4-methylphenyl)carbamoylamino]propoxy]phenyl]propanoic acid Traditional Name: 2-benzyl-3-[4-[3-(p-tolylcarbamoylamino)propoxy]phenyl]propionic acid Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NCCCOC2=CC=C(C=C2)CC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NCCCOC2=CC=C(C=C2)CC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C27H30N2O4/c1-20-8-12-24(13-9-20)29-27(32)28-16-5-17-33-25-14-10-22(11-15-25)19-23(26(30)31)18-21-6-3-2-4-7-21/h2-4,6-15,23H,5,16-19H2,1H3,(H,30,31)(H2,28,29,32)