9-(1,3-benzodioxol-5-ylcarbonyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid

Systemtic Name: 9-(1,3-benzodioxol-5-ylcarbonyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid Openeye Name: 9-(1,3-benzodioxole-5-carbonyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid CAS Name: 9-[1,3-benzodioxol-5-yl(oxo)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid IUPAC Name: 9-(1,3-benzodioxole-5-carbonyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid Traditional Name: 9-piperonyloyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid Formula: C21H17NO5 MolecularWeight: 363.36338

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C(=O)O)C3=CC=CC=C3N2C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC2=C(CC1C(=O)O)C3=CC=CC=C3N2C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H17NO5/c23-20(12-6-8-18-19(10-12)27-11-26-18)22-16-4-2-1-3-14(16)15-9-13(21(24)25)5-7-17(15)22/h1-4,6,8,10,13H,5,7,9,11H2,(H,24,25)