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

Systemtic Name: 2-[[2-[(4-methyl-2-phenyl-pentanoyl)amino]-4-(phenoxymethyl)phenyl]methyl]benzoic acid Openeye Name: 2-[[2-[(4-methyl-2-phenyl-pentanoyl)amino]-4-(phenoxymethyl)phenyl]methyl]benzoic acid CAS Name: 2-[[2-[(4-methyl-1-oxo-2-phenylpentyl)amino]-4-(phenoxymethyl)phenyl]methyl]benzoic acid IUPAC Name: 2-[[2-[(4-methyl-2-phenylpentanoyl)amino]-4-(phenoxymethyl)phenyl]methyl]benzoic acid Traditional Name: 2-[2-[(4-methyl-2-phenyl-pentanoyl)amino]-4-(phenoxymethyl)benzyl]benzoic acid Formula: C33H33NO4 MolecularWeight: 507.61942

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)CC4=CC=CC=C4C(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)COC3=CC=CC=C3)CC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C33H33NO4/c1-23(2)19-30(25-11-5-3-6-12-25)32(35)34-31-20-24(22-38-28-14-7-4-8-15-28)17-18-27(31)21-26-13-9-10-16-29(26)33(36)37/h3-18,20,23,30H,19,21-22H2,1-2H3,(H,34,35)(H,36,37)