4-[2-[2-(4-methylphenyl)propanoylamino]-4-(phenoxymethyl)phenyl]butanoic acid

Systemtic Name: 4-[2-[2-(4-methylphenyl)propanoylamino]-4-(phenoxymethyl)phenyl]butanoic acid Openeye Name: 4-[4-(phenoxymethyl)-2-[2-(p-tolyl)propanoylamino]phenyl]butanoic acid CAS Name: 4-[2-[[2-(4-methylphenyl)-1-oxopropyl]amino]-4-(phenoxymethyl)phenyl]butanoic acid IUPAC Name: 4-[2-[2-(4-methylphenyl)propanoylamino]-4-(phenoxymethyl)phenyl]butanoic acid Traditional Name: 4-[4-(phenoxymethyl)-2-[2-(p-tolyl)propanoylamino]phenyl]butyric acid Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)C(=O)NC2=C(C=CC(=C2)COC3=CC=CC=C3)CCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C)C(=O)NC2=C(C=CC(=C2)COC3=CC=CC=C3)CCCC(=O)O

InChI

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