3-[5-methyl-2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid

Systemtic Name: 3-[5-methyl-2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid Openeye Name: 3-[5-methyl-2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid CAS Name: 3-[5-methyl-2-[[(3-methyl-1-phenylbutyl)amino]-oxomethyl]-4-(phenoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[5-methyl-2-[(3-methyl-1-phenylbutyl)carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid Traditional Name: 3-[5-methyl-2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-(phenoxymethyl)phenyl]propionic acid Formula: C29H33NO4 MolecularWeight: 459.57662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33NO4/c1-20(2)16-27(22-10-6-4-7-11-22)30-29(33)26-18-24(19-34-25-12-8-5-9-13-25)21(3)17-23(26)14-15-28(31)32/h4-13,17-18,20,27H,14-16,19H2,1-3H3,(H,30,33)(H,31,32)