4-[4-(phenoxymethyl)-2-(2-phenylpropanoylamino)phenyl]butanoic acid

Systemtic Name: 4-[4-(phenoxymethyl)-2-(2-phenylpropanoylamino)phenyl]butanoic acid Openeye Name: 4-[4-(phenoxymethyl)-2-(2-phenylpropanoylamino)phenyl]butanoic acid CAS Name: 4-[2-[(1-oxo-2-phenylpropyl)amino]-4-(phenoxymethyl)phenyl]butanoic acid IUPAC Name: 4-[4-(phenoxymethyl)-2-(2-phenylpropanoylamino)phenyl]butanoic acid Traditional Name: 4-[2-(hydratropoylamino)-4-(phenoxymethyl)phenyl]butyric acid Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO4/c1-19(21-9-4-2-5-10-21)26(30)27-24-17-20(18-31-23-12-6-3-7-13-23)15-16-22(24)11-8-14-25(28)29/h2-7,9-10,12-13,15-17,19H,8,11,14,18H2,1H3,(H,27,30)(H,28,29)