[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 6-oxidanylidene-1-(2-phenoxyethyl)pyridazine-3-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 6-oxidanylidene-1-(2-phenoxyethyl)pyridazine-3-carboxylate Openeye Name: [2-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate CAS Name: 6-oxo-1-(2-phenoxyethyl)-3-pyridazinecarboxylic acid [2-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate Traditional Name: 6-keto-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid [2-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C26H31N3O5 MolecularWeight: 465.54144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C(=O)COC(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)C(=O)COC(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3

InChI

InChI=1S/C26H31N3O5/c1-18(2)12-13-28-19(3)16-22(20(28)4)24(30)17-34-26(32)23-10-11-25(31)29(27-23)14-15-33-21-8-6-5-7-9-21/h5-11,16,18H,12-15,17H2,1-4H3