4-[4-[(4-acetamido-2-chloranyl-phenoxy)methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid

Systemtic Name: 4-[4-[(4-acetamido-2-chloranyl-phenoxy)methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Openeye Name: 4-[4-[(4-acetamido-2-chloro-phenoxy)methyl]-2-[2-(1-naphthyl)propanoylamino]phenyl]butanoic acid CAS Name: 4-[4-[(4-acetamido-2-chlorophenoxy)methyl]-2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-[(4-acetamido-2-chlorophenoxy)methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Traditional Name: 4-[4-[(4-acetamido-2-chloro-phenoxy)methyl]-2-[2-(1-naphthyl)propanoylamino]phenyl]butyric acid Formula: C32H31ClN2O5 MolecularWeight: 559.05194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)COC4=C(C=C(C=C4)NC(=O)C)Cl)CCCC(=O)O

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)COC4=C(C=C(C=C4)NC(=O)C)Cl)CCCC(=O)O

InChI

InChI=1S/C32H31ClN2O5/c1-20(26-11-5-8-23-7-3-4-10-27(23)26)32(39)35-29-17-22(13-14-24(29)9-6-12-31(37)38)19-40-30-16-15-25(18-28(30)33)34-21(2)36/h3-5,7-8,10-11,13-18,20H,6,9,12,19H2,1-2H3,(H,34,36)(H,35,39)(H,37,38)