4-[4-[(4-cyano-2-methoxy-phenoxy)methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid

Systemtic Name: 4-[4-[(4-cyano-2-methoxy-phenoxy)methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Openeye Name: 4-[4-[(4-cyano-2-methoxy-phenoxy)methyl]-2-[2-(1-naphthyl)propanoylamino]phenyl]butanoic acid CAS Name: 4-[4-[(4-cyano-2-methoxyphenoxy)methyl]-2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-[(4-cyano-2-methoxyphenoxy)methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Traditional Name: 4-[4-[(4-cyano-2-methoxy-phenoxy)methyl]-2-[2-(1-naphthyl)propanoylamino]phenyl]butyric acid Formula: C32H30N2O5 MolecularWeight: 522.591

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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)C#N)OC)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)C#N)OC)CCCC(=O)O

InChI

InChI=1S/C32H30N2O5/c1-21(26-11-5-8-24-7-3-4-10-27(24)26)32(37)34-28-17-23(13-15-25(28)9-6-12-31(35)36)20-39-29-16-14-22(19-33)18-30(29)38-2/h3-5,7-8,10-11,13-18,21H,6,9,12,20H2,1-2H3,(H,34,37)(H,35,36)