ethyl 3-(1,3-benzodioxol-5-ylcarbonylamino)-5,6-dimethoxy-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-ylcarbonylamino)-5,6-dimethoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-(1,3-benzodioxole-5-carbonylamino)-5,6-dimethoxy-1H-indole-2-carboxylate CAS Name: 3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxole-5-carbonylamino)-5,6-dimethoxy-1H-indole-2-carboxylate Traditional Name: 5,6-dimethoxy-3-(piperonyloylamino)-1H-indole-2-carboxylic acid ethyl ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O7/c1-4-28-21(25)19-18(12-8-15(26-2)16(27-3)9-13(12)22-19)23-20(24)11-5-6-14-17(7-11)30-10-29-14/h5-9,22H,4,10H2,1-3H3,(H,23,24)