2-[(phenylmethyl)amino]-3-[4-(3-phenylpropylcarbamoyl)phenyl]propanoic acid

Systemtic Name: 2-[(phenylmethyl)amino]-3-[4-(3-phenylpropylcarbamoyl)phenyl]propanoic acid Openeye Name: 2-(benzylamino)-3-[4-(3-phenylpropylcarbamoyl)phenyl]propanoic acid CAS Name: 3-[4-[oxo-(3-phenylpropylamino)methyl]phenyl]-2-[(phenylmethyl)amino]propanoic acid IUPAC Name: 2-(benzylamino)-3-[4-(3-phenylpropylcarbamoyl)phenyl]propanoic acid Traditional Name: 2-(benzylamino)-3-[4-(3-phenylpropylcarbamoyl)phenyl]propionic acid Formula: C26H28N2O3 MolecularWeight: 416.51212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)C2=CC=C(C=C2)CC(C(=O)O)NCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)C2=CC=C(C=C2)CC(C(=O)O)NCC3=CC=CC=C3

InChI

InChI=1S/C26H28N2O3/c29-25(27-17-7-12-20-8-3-1-4-9-20)23-15-13-21(14-16-23)18-24(26(30)31)28-19-22-10-5-2-6-11-22/h1-6,8-11,13-16,24,28H,7,12,17-19H2,(H,27,29)(H,30,31)