3-[2-[(4-methyl-2-phenyl-pentanoyl)amino]-4-(phenoxymethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-[(4-methyl-2-phenyl-pentanoyl)amino]-4-(phenoxymethyl)phenyl]propanoic acid Openeye Name: 3-[2-[(4-methyl-2-phenyl-pentanoyl)amino]-4-(phenoxymethyl)phenyl]propanoic acid CAS Name: 3-[2-[(4-methyl-1-oxo-2-phenylpentyl)amino]-4-(phenoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[(4-methyl-2-phenylpentanoyl)amino]-4-(phenoxymethyl)phenyl]propanoic acid Traditional Name: 3-[2-[(4-methyl-2-phenyl-pentanoyl)amino]-4-(phenoxymethyl)phenyl]propionic acid Formula: C28H31NO4 MolecularWeight: 445.55004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)COC3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)COC3=CC=CC=C3)CCC(=O)O

InChI

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