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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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