4-[2-(1-naphthalen-1-ylethylcarbamoyl)-4-(2-nitrophenoxy)phenyl]butanoic acid

Systemtic Name: 4-[2-(1-naphthalen-1-ylethylcarbamoyl)-4-(2-nitrophenoxy)phenyl]butanoic acid Openeye Name: 4-[2-[1-(1-naphthyl)ethylcarbamoyl]-4-(2-nitrophenoxy)phenyl]butanoic acid CAS Name: 4-[2-[[1-(1-naphthalenyl)ethylamino]-oxomethyl]-4-(2-nitrophenoxy)phenyl]butanoic acid IUPAC Name: 4-[2-(1-naphthalen-1-ylethylcarbamoyl)-4-(2-nitrophenoxy)phenyl]butanoic acid Traditional Name: 4-[2-[1-(1-naphthyl)ethylcarbamoyl]-4-(2-nitrophenoxy)phenyl]butyric acid Formula: C29H26N2O6 MolecularWeight: 498.52654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=C(C=CC(=C3)OC4=CC=CC=C4[N+](=O)[O-])CCCC(=O)O

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=C(C=CC(=C3)OC4=CC=CC=C4[N+](=O)[O-])CCCC(=O)O

InChI

InChI=1S/C29H26N2O6/c1-19(23-12-6-9-20-8-2-3-11-24(20)23)30-29(34)25-18-22(17-16-21(25)10-7-15-28(32)33)37-27-14-5-4-13-26(27)31(35)36/h2-6,8-9,11-14,16-19H,7,10,15H2,1H3,(H,30,34)(H,32,33)