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

Systemtic Name: [2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: 2-methyl-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-[1-(3-methoxypropyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: 2-methyl-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-keto-2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=CC=CC=C2O1)C(=O)OCC(=O)C3=C(N(C(=C3)C)CCCOC)C

Isomeric SMILES

CC1C(OC2=CC=CC=C2O1)C(=O)OCC(=O)C3=C(N(C(=C3)C)CCCOC)C

InChI

InChI=1S/C22H27NO6/c1-14-12-17(15(2)23(14)10-7-11-26-4)18(24)13-27-22(25)21-16(3)28-19-8-5-6-9-20(19)29-21/h5-6,8-9,12,16,21H,7,10-11,13H2,1-4H3