3-[3-butoxy-4-[3-[methyl(phenylcarbamoyl)amino]phenyl]phenyl]propanoic acid

Systemtic Name: 3-[3-butoxy-4-[3-[methyl(phenylcarbamoyl)amino]phenyl]phenyl]propanoic acid Openeye Name: 3-[3-butoxy-4-[3-[methyl(phenylcarbamoyl)amino]phenyl]phenyl]propanoic acid CAS Name: 3-[4-[3-[[anilino(oxo)methyl]-methylamino]phenyl]-3-butoxyphenyl]propanoic acid IUPAC Name: 3-[3-butoxy-4-[3-[methyl(phenylcarbamoyl)amino]phenyl]phenyl]propanoic acid Traditional Name: 3-[3-butoxy-4-[3-[methyl(phenylcarbamoyl)amino]phenyl]phenyl]propionic acid Formula: C27H30N2O4 MolecularWeight: 446.5381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)CCC(=O)O)C2=CC(=CC=C2)N(C)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)CCC(=O)O)C2=CC(=CC=C2)N(C)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C27H30N2O4/c1-3-4-17-33-25-18-20(14-16-26(30)31)13-15-24(25)21-9-8-12-23(19-21)29(2)27(32)28-22-10-6-5-7-11-22/h5-13,15,18-19H,3-4,14,16-17H2,1-2H3,(H,28,32)(H,30,31)