O2-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxo-ethyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-[1-(2-cyanoethyl)-3-indolyl]-2-oxoethyl] ester O4-ethyl ester IUPAC Name: 2-O-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-[1-(2-cyanoethyl)indol-3-yl]-2-keto-ethyl] ester O4-ethyl ester Formula: C23H23N3O5 MolecularWeight: 421.44582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)C2=CN(C3=CC=CC=C32)CCC#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)C2=CN(C3=CC=CC=C32)CCC#N)C

InChI

InChI=1S/C23H23N3O5/c1-4-30-22(28)20-14(2)21(25-15(20)3)23(29)31-13-19(27)17-12-26(11-7-10-24)18-9-6-5-8-16(17)18/h5-6,8-9,12,25H,4,7,11,13H2,1-3H3