[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)propanoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)propanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 3-(2-oxo-3-propyl-benzimidazol-1-yl)propanoate CAS Name: 3-(2-oxo-3-propyl-1-benzimidazolyl)propanoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-(2-oxo-3-propylbenzimidazol-1-yl)propanoate Traditional Name: 3-(2-keto-3-propyl-benzimidazol-1-yl)propionic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)CCC(=O)OCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)CCC(=O)OCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N2O6/c1-2-10-23-16-5-3-4-6-17(16)24(22(23)27)11-9-21(26)28-13-18(25)15-7-8-19-20(12-15)30-14-29-19/h3-8,12H,2,9-11,13-14H2,1H3