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

Systemtic Name: 3-[4-(phenoxymethyl)-2-(2-phenylpentanoylamino)phenyl]propanoic acid Openeye Name: 3-[4-(phenoxymethyl)-2-(2-phenylpentanoylamino)phenyl]propanoic acid CAS Name: 3-[2-[(1-oxo-2-phenylpentyl)amino]-4-(phenoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[4-(phenoxymethyl)-2-(2-phenylpentanoylamino)phenyl]propanoic acid Traditional Name: 3-[4-(phenoxymethyl)-2-(2-phenylpentanoylamino)phenyl]propionic acid Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO4/c1-2-9-24(21-10-5-3-6-11-21)27(31)28-25-18-20(14-15-22(25)16-17-26(29)30)19-32-23-12-7-4-8-13-23/h3-8,10-15,18,24H,2,9,16-17,19H2,1H3,(H,28,31)(H,29,30)