2-[(4-methoxyphenyl)methylamino]-3-[4-(3-phenylpropylcarbamoyl)phenyl]propanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)methylamino]-3-[4-(3-phenylpropylcarbamoyl)phenyl]propanoic acid Openeye Name: 2-[(4-methoxyphenyl)methylamino]-3-[4-(3-phenylpropylcarbamoyl)phenyl]propanoic acid CAS Name: 2-[(4-methoxyphenyl)methylamino]-3-[4-[oxo-(3-phenylpropylamino)methyl]phenyl]propanoic acid IUPAC Name: 2-[(4-methoxyphenyl)methylamino]-3-[4-(3-phenylpropylcarbamoyl)phenyl]propanoic acid Traditional Name: 2-(p-anisylamino)-3-[4-(3-phenylpropylcarbamoyl)phenyl]propionic acid Formula: C27H30N2O4 MolecularWeight: 446.5381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(CC2=CC=C(C=C2)C(=O)NCCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CNC(CC2=CC=C(C=C2)C(=O)NCCCC3=CC=CC=C3)C(=O)O

InChI

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