2-methoxyethyl 1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-oxidanyl-indole-3-carboxylate

Systemtic Name: 2-methoxyethyl 1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-oxidanyl-indole-3-carboxylate Openeye Name: 2-methoxyethyl 1-(1,3-benzodioxol-5-ylmethyl)-5-hydroxy-2-methyl-indole-3-carboxylate CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-hydroxy-2-methyl-3-indolecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 1-(1,3-benzodioxol-5-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-1-piperonyl-indole-3-carboxylic acid 2-methoxyethyl ester Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC4=C(C=C3)OCO4)C=CC(=C2)O)C(=O)OCCOC

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC4=C(C=C3)OCO4)C=CC(=C2)O)C(=O)OCCOC

InChI

InChI=1S/C21H21NO6/c1-13-20(21(24)26-8-7-25-2)16-10-15(23)4-5-17(16)22(13)11-14-3-6-18-19(9-14)28-12-27-18/h3-6,9-10,23H,7-8,11-12H2,1-2H3