3-[2-[(4-methyl-2-phenyl-pentyl)carbamoyl]-4-phenoxy-phenyl]propanoic acid

Systemtic Name: 3-[2-[(4-methyl-2-phenyl-pentyl)carbamoyl]-4-phenoxy-phenyl]propanoic acid Openeye Name: 3-[2-[(4-methyl-2-phenyl-pentyl)carbamoyl]-4-phenoxy-phenyl]propanoic acid CAS Name: 3-[2-[[(4-methyl-2-phenylpentyl)amino]-oxomethyl]-4-phenoxyphenyl]propanoic acid IUPAC Name: 3-[2-[(4-methyl-2-phenylpentyl)carbamoyl]-4-phenoxyphenyl]propanoic acid Traditional Name: 3-[2-[(4-methyl-2-phenyl-pentyl)carbamoyl]-4-phenoxy-phenyl]propionic acid Formula: C28H31NO4 MolecularWeight: 445.55004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNC(=O)C1=C(C=CC(=C1)OC2=CC=CC=C2)CCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(CNC(=O)C1=C(C=CC(=C1)OC2=CC=CC=C2)CCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C28H31NO4/c1-20(2)17-23(21-9-5-3-6-10-21)19-29-28(32)26-18-25(33-24-11-7-4-8-12-24)15-13-22(26)14-16-27(30)31/h3-13,15,18,20,23H,14,16-17,19H2,1-2H3,(H,29,32)(H,30,31)