ethyl 3-(1,3-benzodioxol-5-ylcarbonyl)-8-methoxy-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-ylcarbonyl)-8-methoxy-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: ethyl 3-(1,3-benzodioxole-5-carbonyl)-8-methoxy-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 3-[1,3-benzodioxol-5-yl(oxo)methyl]-8-methoxy-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxole-5-carbonyl)-8-methoxy-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 8-methoxy-1,1-dimethyl-3-piperonyloyl-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid ethyl ester Formula: C26H26N2O6 MolecularWeight: 462.49444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(CC(C2=C1NC3=C2C=CC(=C3)OC)(C)C)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1=CN(CC(C2=C1NC3=C2C=CC(=C3)OC)(C)C)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H26N2O6/c1-5-32-25(30)18-12-28(24(29)15-6-9-20-21(10-15)34-14-33-20)13-26(2,3)22-17-8-7-16(31-4)11-19(17)27-23(18)22/h6-12,27H,5,13-14H2,1-4H3