[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: [2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C24H23NO5 MolecularWeight: 405.44312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)COC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)COC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C24H23NO5/c1-16-12-20(17(2)25(16)14-18-6-4-3-5-7-18)21(26)15-30-24(27)19-8-9-22-23(13-19)29-11-10-28-22/h3-9,12-13H,10-11,14-15H2,1-2H3