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

Systemtic Name: methyl 3-[1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-propyl]-1-methyl-indole-6-carboxylate Openeye Name: methyl 3-[1-(1,3-benzodioxol-5-yl)-2-oxo-propyl]-1-methyl-indole-6-carboxylate CAS Name: 3-[1-(1,3-benzodioxol-5-yl)-2-oxopropyl]-1-methyl-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[1-(1,3-benzodioxol-5-yl)-2-oxopropyl]-1-methylindole-6-carboxylate Traditional Name: 3-[1-(1,3-benzodioxol-5-yl)-2-keto-propyl]-1-methyl-indole-6-carboxylic acid methyl ester Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=CC2=C(C=C1)OCO2)C3=CN(C4=C3C=CC(=C4)C(=O)OC)C

Isomeric SMILES

CC(=O)C(C1=CC2=C(C=C1)OCO2)C3=CN(C4=C3C=CC(=C4)C(=O)OC)C

InChI

InChI=1S/C21H19NO5/c1-12(23)20(13-5-7-18-19(9-13)27-11-26-18)16-10-22(2)17-8-14(21(24)25-3)4-6-15(16)17/h4-10,20H,11H2,1-3H3