4-[4-[(3-cyanophenoxy)methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid

Systemtic Name: 4-[4-[(3-cyanophenoxy)methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Openeye Name: 4-[4-[(3-cyanophenoxy)methyl]-2-[2-(1-naphthyl)propanoylamino]phenyl]butanoic acid CAS Name: 4-[4-[(3-cyanophenoxy)methyl]-2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-[(3-cyanophenoxy)methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Traditional Name: 4-[4-[(3-cyanophenoxy)methyl]-2-[2-(1-naphthyl)propanoylamino]phenyl]butyric acid Formula: C31H28N2O4 MolecularWeight: 492.56502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)COC4=CC=CC(=C4)C#N)CCCC(=O)O

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)COC4=CC=CC(=C4)C#N)CCCC(=O)O

InChI

InChI=1S/C31H28N2O4/c1-21(27-13-5-9-24-8-2-3-12-28(24)27)31(36)33-29-18-23(15-16-25(29)10-6-14-30(34)35)20-37-26-11-4-7-22(17-26)19-32/h2-5,7-9,11-13,15-18,21H,6,10,14,20H2,1H3,(H,33,36)(H,34,35)