1,3-benzodioxol-5-ylmethyl 9-(3,4,5-trimethoxyphenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 9-(3,4,5-trimethoxyphenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate Openeye Name: 1,3-benzodioxol-5-ylmethyl 9-(3,4,5-trimethoxybenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate CAS Name: 9-[oxo-(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 9-(3,4,5-trimethoxybenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate Traditional Name: 9-(3,4,5-trimethoxybenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid piperonyl ester Formula: C31H29NO8 MolecularWeight: 543.56386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2C3=C(CC(CC3)C(=O)OCC4=CC5=C(C=C4)OCO5)C6=CC=CC=C62

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2C3=C(CC(CC3)C(=O)OCC4=CC5=C(C=C4)OCO5)C6=CC=CC=C62

InChI

InChI=1S/C31H29NO8/c1-35-27-14-20(15-28(36-2)29(27)37-3)30(33)32-23-7-5-4-6-21(23)22-13-19(9-10-24(22)32)31(34)38-16-18-8-11-25-26(12-18)40-17-39-25/h4-8,11-12,14-15,19H,9-10,13,16-17H2,1-3H3