[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxo-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-[1-(2-cyanoethyl)-3-indolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-[1-(2-cyanoethyl)indol-3-yl]-2-keto-ethyl] ester Formula: C22H18N2O5 MolecularWeight: 390.38872

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)OCC(=O)C3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)C(=O)OCC(=O)C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C22H18N2O5/c23-10-5-11-24-12-16(15-6-1-2-7-17(15)24)18(25)13-28-22(26)21-14-27-19-8-3-4-9-20(19)29-21/h1-4,6-9,12,21H,5,11,13-14H2/t21-/m1/s1