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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O5/c1-4-34-27(32)18-35-26(31)14-8-11-21-15-16-22(29-3)17-25(21)30-28(33)19(2)23-13-7-10-20-9-5-6-12-24(20)23/h5-7,9-10,12-13,15-17,19H,4,8,11,14,18H2,1-2H3,(H,30,33)