[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H23NO5/c1-4-8-22-14(2)11-17(15(22)3)18(23)13-27-21(24)16-6-7-19-20(12-16)26-10-5-9-25-19/h4,6-7,11-12H,1,5,8-10,13H2,2-3H3