ethyl 3-[[4-[1-(1,3-benzodioxol-5-yl)-2-ethoxy-2-oxidanylidene-ethoxy]-3-propyl-phenyl]methyl]-2-oxidanylidene-benzimidazole-1-carboxylate

Systemtic Name: ethyl 3-[[4-[1-(1,3-benzodioxol-5-yl)-2-ethoxy-2-oxidanylidene-ethoxy]-3-propyl-phenyl]methyl]-2-oxidanylidene-benzimidazole-1-carboxylate Openeye Name: ethyl 3-[[4-[1-(1,3-benzodioxol-5-yl)-2-ethoxy-2-oxo-ethoxy]-3-propyl-phenyl]methyl]-2-oxo-benzimidazole-1-carboxylate CAS Name: 3-[[4-[1-(1,3-benzodioxol-5-yl)-2-ethoxy-2-oxoethoxy]-3-propylphenyl]methyl]-2-oxo-1-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-[1-(1,3-benzodioxol-5-yl)-2-ethoxy-2-oxoethoxy]-3-propylphenyl]methyl]-2-oxobenzimidazole-1-carboxylate Traditional Name: 3-[4-[1-(1,3-benzodioxol-5-yl)-2-ethoxy-2-keto-ethoxy]-3-propyl-benzyl]-2-keto-benzimidazole-1-carboxylic acid ethyl ester Formula: C31H32N2O8 MolecularWeight: 560.59438

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)CN2C3=CC=CC=C3N(C2=O)C(=O)OCC)OC(C4=CC5=C(C=C4)OCO5)C(=O)OCC

Isomeric SMILES

CCCC1=C(C=CC(=C1)CN2C3=CC=CC=C3N(C2=O)C(=O)OCC)OC(C4=CC5=C(C=C4)OCO5)C(=O)OCC

InChI

InChI=1S/C31H32N2O8/c1-4-9-21-16-20(18-32-23-10-7-8-11-24(23)33(30(32)35)31(36)38-6-3)12-14-25(21)41-28(29(34)37-5-2)22-13-15-26-27(17-22)40-19-39-26/h7-8,10-17,28H,4-6,9,18-19H2,1-3H3