3-[4-(phenoxymethyl)-2-(2-phenylpropanoylamino)phenyl]propanoic acid

Systemtic Name: 3-[4-(phenoxymethyl)-2-(2-phenylpropanoylamino)phenyl]propanoic acid Openeye Name: 3-[4-(phenoxymethyl)-2-(2-phenylpropanoylamino)phenyl]propanoic acid CAS Name: 3-[2-[(1-oxo-2-phenylpropyl)amino]-4-(phenoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[4-(phenoxymethyl)-2-(2-phenylpropanoylamino)phenyl]propanoic acid Traditional Name: 3-[2-(hydratropoylamino)-4-(phenoxymethyl)phenyl]propionic acid Formula: C25H25NO4 MolecularWeight: 403.4703

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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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO4/c1-18(20-8-4-2-5-9-20)25(29)26-23-16-19(12-13-21(23)14-15-24(27)28)17-30-22-10-6-3-7-11-22/h2-13,16,18H,14-15,17H2,1H3,(H,26,29)(H,27,28)