methyl 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]indole-3-carboxylate

Systemtic Name: methyl 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]indole-3-carboxylate CAS Name: 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]indole-3-carboxylate Traditional Name: 1-[2-keto-2-(piperonylamino)ethyl]indole-3-carboxylic acid methyl ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18N2O5/c1-25-20(24)15-10-22(16-5-3-2-4-14(15)16)11-19(23)21-9-13-6-7-17-18(8-13)27-12-26-17/h2-8,10H,9,11-12H2,1H3,(H,21,23)