methyl 3-[2-azanyl-1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-1-methyl-indole-6-carboxylate

Systemtic Name: methyl 3-[2-azanyl-1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-1-methyl-indole-6-carboxylate Openeye Name: methyl 3-[2-amino-1-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]-1-methyl-indole-6-carboxylate CAS Name: 3-[2-amino-1-(1,3-benzodioxol-5-yl)-2-oxoethyl]-1-methyl-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-amino-1-(1,3-benzodioxol-5-yl)-2-oxoethyl]-1-methylindole-6-carboxylate Traditional Name: 3-[2-amino-1-(1,3-benzodioxol-5-yl)-2-keto-ethyl]-1-methyl-indole-6-carboxylic acid methyl ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=C(C=C2)C(=O)OC)C(C3=CC4=C(C=C3)OCO4)C(=O)N

Isomeric SMILES

CN1C=C(C2=C1C=C(C=C2)C(=O)OC)C(C3=CC4=C(C=C3)OCO4)C(=O)N

InChI

InChI=1S/C20H18N2O5/c1-22-9-14(13-5-3-12(7-15(13)22)20(24)25-2)18(19(21)23)11-4-6-16-17(8-11)27-10-26-16/h3-9,18H,10H2,1-2H3,(H2,21,23)