O4-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] O1-methyl benzene-1,4-dicarboxylate

Systemtic Name: O4-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] O1-methyl benzene-1,4-dicarboxylate Openeye Name: O4-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxo-ethyl] O1-methyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-[2-[1-(2-cyanoethyl)-3-indolyl]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 4-O-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-[1-(2-cyanoethyl)indol-3-yl]-2-keto-ethyl] ester O1-methyl ester Formula: C22H18N2O5 MolecularWeight: 390.38872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)OCC(=O)C2=CN(C3=CC=CC=C32)CCC#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)OCC(=O)C2=CN(C3=CC=CC=C32)CCC#N

InChI

InChI=1S/C22H18N2O5/c1-28-21(26)15-7-9-16(10-8-15)22(27)29-14-20(25)18-13-24(12-4-11-23)19-6-3-2-5-17(18)19/h2-3,5-10,13H,4,12,14H2,1H3