[2-(1-ethyl-2-phenyl-indol-3-yl)-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-(1-ethyl-2-phenyl-indol-3-yl)-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(1-ethyl-2-phenyl-indol-3-yl)-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-(1-ethyl-2-phenyl-3-indolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(1-ethyl-2-phenyl-indol-3-yl)-2-keto-ethyl] ester Formula: C26H21NO5 MolecularWeight: 427.44864

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)COC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)COC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H21NO5/c1-2-27-20-11-7-6-10-19(20)24(25(27)17-8-4-3-5-9-17)21(28)15-30-26(29)18-12-13-22-23(14-18)32-16-31-22/h3-14H,2,15-16H2,1H3