ethyl 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyloxy)ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyloxy)ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyloxy)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(oxo)methoxy]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyloxy)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-carbonyloxy)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=CC3=C(C=C2)OCCCO3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=CC3=C(C=C2)OCCCO3)C)C

InChI

InChI=1S/C21H23NO7/c1-4-26-21(25)19-13(3)22-12(2)18(19)15(23)11-29-20(24)14-6-7-16-17(10-14)28-9-5-8-27-16/h6-7,10,22H,4-5,8-9,11H2,1-3H3