3-[5-[3-[(3,5-dimethoxyphenyl)carbamoyl-ethyl-amino]phenyl]-3-methyl-furan-2-yl]propanoic acid

Systemtic Name: 3-[5-[3-[(3,5-dimethoxyphenyl)carbamoyl-ethyl-amino]phenyl]-3-methyl-furan-2-yl]propanoic acid Openeye Name: 3-[5-[3-[(3,5-dimethoxyphenyl)carbamoyl-ethyl-amino]phenyl]-3-methyl-2-furyl]propanoic acid CAS Name: 3-[5-[3-[[(3,5-dimethoxyanilino)-oxomethyl]-ethylamino]phenyl]-3-methyl-2-furanyl]propanoic acid IUPAC Name: 3-[5-[3-[(3,5-dimethoxyphenyl)carbamoyl-ethylamino]phenyl]-3-methylfuran-2-yl]propanoic acid Traditional Name: 3-[5-[3-[(3,5-dimethoxyphenyl)carbamoyl-ethyl-amino]phenyl]-3-methyl-2-furyl]propionic acid Formula: C25H28N2O6 MolecularWeight: 452.49962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C2=CC(=C(O2)CCC(=O)O)C)C(=O)NC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCN(C1=CC=CC(=C1)C2=CC(=C(O2)CCC(=O)O)C)C(=O)NC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C25H28N2O6/c1-5-27(25(30)26-18-13-20(31-3)15-21(14-18)32-4)19-8-6-7-17(12-19)23-11-16(2)22(33-23)9-10-24(28)29/h6-8,11-15H,5,9-10H2,1-4H3,(H,26,30)(H,28,29)