[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxidanylidene-ethyl] 1-methylindole-3-carboxylate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxidanylidene-ethyl] 1-methylindole-3-carboxylate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxo-ethyl] 1-methylindole-3-carboxylate CAS Name: 1-methyl-3-indolecarboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] 1-methylindole-3-carboxylate Traditional Name: 1-methylindole-3-carboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-keto-ethyl] ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)OCC(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)OCC(=O)NCC3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H20N2O5/c1-23-11-16(15-6-2-3-7-17(15)23)21(25)27-13-20(24)22-10-14-12-26-18-8-4-5-9-19(18)28-14/h2-9,11,14H,10,12-13H2,1H3,(H,22,24)