9-(1,3-benzodioxol-5-ylcarbonyl)-8-phenoxy-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid

Systemtic Name: 9-(1,3-benzodioxol-5-ylcarbonyl)-8-phenoxy-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid Openeye Name: 9-(1,3-benzodioxole-5-carbonyl)-8-phenoxy-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid CAS Name: 9-[1,3-benzodioxol-5-yl(oxo)methyl]-8-phenoxy-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid IUPAC Name: 9-(1,3-benzodioxole-5-carbonyl)-8-phenoxy-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid Traditional Name: 8-phenoxy-9-piperonyloyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid Formula: C27H21NO6 MolecularWeight: 455.45874

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)N(C3=C2C=CC=C3OC4=CC=CC=C4)C(=O)C5=CC6=C(C=C5)OCO6)C(=O)O

Isomeric SMILES

C1CC(C2=C(C1)N(C3=C2C=CC=C3OC4=CC=CC=C4)C(=O)C5=CC6=C(C=C5)OCO6)C(=O)O

InChI

InChI=1S/C27H21NO6/c29-26(16-12-13-21-23(14-16)33-15-32-21)28-20-10-4-9-19(27(30)31)24(20)18-8-5-11-22(25(18)28)34-17-6-2-1-3-7-17/h1-3,5-8,11-14,19H,4,9-10,15H2,(H,30,31)