[2-(2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-pyrrol-1-ylbenzoate

Systemtic Name: [2-(2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-pyrrol-1-ylbenzoate Openeye Name: [2-[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]-2-oxo-ethyl] 3-pyrrol-1-ylbenzoate CAS Name: 3-(1-pyrrolyl)benzoic acid [2-[2,5-dimethyl-1-(2-pyridinyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-2-oxoethyl] 3-pyrrol-1-ylbenzoate Traditional Name: 3-pyrrol-1-ylbenzoic acid [2-[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C24H21N3O3 MolecularWeight: 399.44184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=N2)C)C(=O)COC(=O)C3=CC(=CC=C3)N4C=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=N2)C)C(=O)COC(=O)C3=CC(=CC=C3)N4C=CC=C4

InChI

InChI=1S/C24H21N3O3/c1-17-14-21(18(2)27(17)23-10-3-4-11-25-23)22(28)16-30-24(29)19-8-7-9-20(15-19)26-12-5-6-13-26/h3-15H,16H2,1-2H3