[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-butoxybenzoate

Systemtic Name: [2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-butoxybenzoate Openeye Name: [2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C27H29NO6 MolecularWeight: 463.52226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C27H29NO6/c1-4-5-12-31-22-9-7-21(8-10-22)27(30)32-16-24(29)23-13-18(2)28(19(23)3)15-20-6-11-25-26(14-20)34-17-33-25/h6-11,13-14H,4-5,12,15-17H2,1-3H3