methyl 5-cyano-1-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-1-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 5-cyano-1-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxo-ethyl]-6-oxo-pyridine-3-carboxylate CAS Name: 5-cyano-1-[2-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-oxoethyl]-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-1-[2-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-oxoethyl]-6-oxopyridine-3-carboxylate Traditional Name: 5-cyano-1-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl]-6-keto-nicotinic acid methyl ester Formula: C24H23N3O4 MolecularWeight: 417.45712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CN3C=C(C=C(C3=O)C#N)C(=O)OC

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CN3C=C(C=C(C3=O)C#N)C(=O)OC

InChI

InChI=1S/C24H23N3O4/c1-16-11-21(17(2)27(16)10-9-18-7-5-4-6-8-18)22(28)15-26-14-20(24(30)31-3)12-19(13-25)23(26)29/h4-8,11-12,14H,9-10,15H2,1-3H3