(phenylmethyl) 9-(1,3-benzodioxol-5-ylcarbonyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate

Systemtic Name: (phenylmethyl) 9-(1,3-benzodioxol-5-ylcarbonyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate Openeye Name: benzyl 9-(1,3-benzodioxole-5-carbonyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate CAS Name: 9-[1,3-benzodioxol-5-yl(oxo)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 9-(1,3-benzodioxole-5-carbonyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate Traditional Name: 9-piperonyloyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid benzyl ester Formula: C28H23NO5 MolecularWeight: 453.48592

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4N2C(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CC2=C(CC1C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4N2C(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H23NO5/c30-27(19-11-13-25-26(15-19)34-17-33-25)29-23-9-5-4-8-21(23)22-14-20(10-12-24(22)29)28(31)32-16-18-6-2-1-3-7-18/h1-9,11,13,15,20H,10,12,14,16-17H2