methyl 4-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 4-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 4-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[1-(2-cyanoethyl)-3-indolyl]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[1-(2-cyanoethyl)indol-3-yl]-2-keto-ethoxy]benzoic acid methyl ester Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4/c1-26-21(25)15-7-9-16(10-8-15)27-14-20(24)18-13-23(12-4-11-22)19-6-3-2-5-17(18)19/h2-3,5-10,13H,4,12,14H2,1H3