4-[4-[[(3-chloranyl-4-fluoranyl-phenyl)carbonylamino]methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid

Systemtic Name: 4-[4-[[(3-chloranyl-4-fluoranyl-phenyl)carbonylamino]methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Openeye Name: 4-[4-[[(3-chloro-4-fluoro-benzoyl)amino]methyl]-2-[2-(1-naphthyl)propanoylamino]phenyl]butanoic acid CAS Name: 4-[4-[[[(3-chloro-4-fluorophenyl)-oxomethyl]amino]methyl]-2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-[[(3-chloro-4-fluorobenzoyl)amino]methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Traditional Name: 4-[4-[[(3-chloro-4-fluoro-benzoyl)amino]methyl]-2-[2-(1-naphthyl)propanoylamino]phenyl]butyric acid Formula: C31H28ClFN2O4 MolecularWeight: 547.016423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)CNC(=O)C4=CC(=C(C=C4)F)Cl)CCCC(=O)O

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)CNC(=O)C4=CC(=C(C=C4)F)Cl)CCCC(=O)O

InChI

InChI=1S/C31H28ClFN2O4/c1-19(24-10-4-7-21-6-2-3-9-25(21)24)30(38)35-28-16-20(12-13-22(28)8-5-11-29(36)37)18-34-31(39)23-14-15-27(33)26(32)17-23/h2-4,6-7,9-10,12-17,19H,5,8,11,18H2,1H3,(H,34,39)(H,35,38)(H,36,37)