[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate

Systemtic Name: [2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate Openeye Name: [2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-phenyl-3-pyrrolecarboxylic acid [2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylic acid [2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C28H26N2O5 MolecularWeight: 470.51644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OCC(=O)C3=C(N(C(=C3)C)C4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OCC(=O)C3=C(N(C(=C3)C)C4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C28H26N2O5/c1-17-12-23(19(3)30(17)22-10-11-26-27(14-22)35-16-34-26)25(31)15-33-28(32)24-13-18(2)29(20(24)4)21-8-6-5-7-9-21/h5-14H,15-16H2,1-4H3