methyl 3a-(1,3-benzodioxol-5-yl)-5-oxidanylidene-2,3,4,6-tetrahydroindole-1-carboxylate

Systemtic Name: methyl 3a-(1,3-benzodioxol-5-yl)-5-oxidanylidene-2,3,4,6-tetrahydroindole-1-carboxylate Openeye Name: methyl 3a-(1,3-benzodioxol-5-yl)-5-oxo-2,3,4,6-tetrahydroindole-1-carboxylate CAS Name: 3a-(1,3-benzodioxol-5-yl)-5-oxo-2,3,4,6-tetrahydroindole-1-carboxylic acid methyl ester IUPAC Name: methyl 3a-(1,3-benzodioxol-5-yl)-5-oxo-2,3,4,6-tetrahydroindole-1-carboxylate Traditional Name: 3a-(1,3-benzodioxol-5-yl)-5-keto-2,3,4,6-tetrahydroindole-1-carboxylic acid methyl ester Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC2(C1=CCC(=O)C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)N1CCC2(C1=CCC(=O)C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H17NO5/c1-21-16(20)18-7-6-17(9-12(19)3-5-15(17)18)11-2-4-13-14(8-11)23-10-22-13/h2,4-5,8H,3,6-7,9-10H2,1H3