4-[4-[(4-butanoylphenoxy)methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid

Systemtic Name: 4-[4-[(4-butanoylphenoxy)methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Openeye Name: 4-[4-[(4-butanoylphenoxy)methyl]-2-[2-(1-naphthyl)propanoylamino]phenyl]butanoic acid CAS Name: 4-[2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]-4-[[4-(1-oxobutyl)phenoxy]methyl]phenyl]butanoic acid IUPAC Name: 4-[4-[(4-butanoylphenoxy)methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Traditional Name: 4-[4-[(4-butyrylphenoxy)methyl]-2-[2-(1-naphthyl)propanoylamino]phenyl]butyric acid Formula: C34H35NO5 MolecularWeight: 537.6454

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC=C(C=C1)OCC2=CC(=C(C=C2)CCCC(=O)O)NC(=O)C(C)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCC(=O)C1=CC=C(C=C1)OCC2=CC(=C(C=C2)CCCC(=O)O)NC(=O)C(C)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C34H35NO5/c1-3-8-32(36)27-17-19-28(20-18-27)40-22-24-15-16-26(11-7-14-33(37)38)31(21-24)35-34(39)23(2)29-13-6-10-25-9-4-5-12-30(25)29/h4-6,9-10,12-13,15-21,23H,3,7-8,11,14,22H2,1-2H3,(H,35,39)(H,37,38)