dimethyl 2-[3-[3-(cyanomethyl)indol-1-yl]-3-oxidanylidene-propyl]propanedioate

Systemtic Name: dimethyl 2-[3-[3-(cyanomethyl)indol-1-yl]-3-oxidanylidene-propyl]propanedioate Openeye Name: dimethyl 2-[3-[3-(cyanomethyl)indol-1-yl]-3-oxo-propyl]propanedioate CAS Name: 2-[3-[3-(cyanomethyl)-1-indolyl]-3-oxopropyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[3-[3-(cyanomethyl)indol-1-yl]-3-oxopropyl]propanedioate Traditional Name: 2-[3-[3-(cyanomethyl)indol-1-yl]-3-keto-propyl]malonic acid dimethyl ester Formula: C18H18N2O5 MolecularWeight: 342.34592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(=O)N1C=C(C2=CC=CC=C21)CC#N)C(=O)OC

Isomeric SMILES

COC(=O)C(CCC(=O)N1C=C(C2=CC=CC=C21)CC#N)C(=O)OC

InChI

InChI=1S/C18H18N2O5/c1-24-17(22)14(18(23)25-2)7-8-16(21)20-11-12(9-10-19)13-5-3-4-6-15(13)20/h3-6,11,14H,7-9H2,1-2H3