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

Systemtic Name: 3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-[(2-oxidanylphenoxy)methyl]phenyl]propanoic acid Openeye Name: 3-[4-[(2-hydroxyphenoxy)methyl]-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propanoic acid CAS Name: 3-[4-[(2-hydroxyphenoxy)methyl]-2-[[(3-methyl-1-phenylbutyl)amino]-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(2-hydroxyphenoxy)methyl]-2-[(3-methyl-1-phenylbutyl)carbamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(2-hydroxyphenoxy)methyl]-2-[(3-methyl-1-phenyl-butyl)carbamoyl]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=C3O)CCC(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)COC3=CC=CC=C3O)CCC(=O)O

InChI

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