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

Systemtic Name: 3-[2-[(3-methyl-3-oxidanyl-1-phenyl-butyl)carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid Openeye Name: 3-[2-[(3-hydroxy-3-methyl-1-phenyl-butyl)carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid CAS Name: 3-[2-[[(3-hydroxy-3-methyl-1-phenylbutyl)amino]-oxomethyl]-4-(phenoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[(3-hydroxy-3-methyl-1-phenylbutyl)carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid Traditional Name: 3-[2-[(3-hydroxy-3-methyl-1-phenyl-butyl)carbamoyl]-4-(phenoxymethyl)phenyl]propionic acid Formula: C28H31NO5 MolecularWeight: 461.54944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31NO5/c1-28(2,33)18-25(22-9-5-3-6-10-22)29-27(32)24-17-20(13-14-21(24)15-16-26(30)31)19-34-23-11-7-4-8-12-23/h3-14,17,25,33H,15-16,18-19H2,1-2H3,(H,29,32)(H,30,31)