(2-ethoxy-2-oxidanylidene-ethyl) 4-[4-cyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoate

Systemtic Name: (2-ethoxy-2-oxidanylidene-ethyl) 4-[4-cyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoate Openeye Name: (2-ethoxy-2-oxo-ethyl) 4-[4-cyano-2-[2-(1-naphthyl)propanoylamino]phenyl]butanoate CAS Name: 4-[4-cyano-2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]butanoic acid (2-ethoxy-2-oxoethyl) ester IUPAC Name: (2-ethoxy-2-oxoethyl) 4-[4-cyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoate Traditional Name: 4-[4-cyano-2-[2-(1-naphthyl)propanoylamino]phenyl]butyric acid (2-ethoxy-2-keto-ethyl) ester Formula: C28H28N2O5 MolecularWeight: 472.53232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC(=O)CCCC1=C(C=C(C=C1)C#N)NC(=O)C(C)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)COC(=O)CCCC1=C(C=C(C=C1)C#N)NC(=O)C(C)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C28H28N2O5/c1-3-34-27(32)18-35-26(31)13-7-10-22-15-14-20(17-29)16-25(22)30-28(33)19(2)23-12-6-9-21-8-4-5-11-24(21)23/h4-6,8-9,11-12,14-16,19H,3,7,10,13,18H2,1-2H3,(H,30,33)