3-[4-(phenoxymethyl)-2-(1-phenylpropan-2-ylcarbamoyl)phenyl]propanoic acid

Systemtic Name: 3-[4-(phenoxymethyl)-2-(1-phenylpropan-2-ylcarbamoyl)phenyl]propanoic acid Openeye Name: 3-[2-[(1-methyl-2-phenyl-ethyl)carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid CAS Name: 3-[2-[oxo-(1-phenylpropan-2-ylamino)methyl]-4-(phenoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[4-(phenoxymethyl)-2-(1-phenylpropan-2-ylcarbamoyl)phenyl]propanoic acid Traditional Name: 3-[2-[(1-methyl-2-phenyl-ethyl)carbamoyl]-4-(phenoxymethyl)phenyl]propionic acid Formula: C26H27NO4 MolecularWeight: 417.49688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)COC3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

CC(CC1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)COC3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C26H27NO4/c1-19(16-20-8-4-2-5-9-20)27-26(30)24-17-21(12-13-22(24)14-15-25(28)29)18-31-23-10-6-3-7-11-23/h2-13,17,19H,14-16,18H2,1H3,(H,27,30)(H,28,29)