ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-[[3-(2-pyridin-2-ylethynyl)phenyl]amino]ethyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-[[3-(2-pyridin-2-ylethynyl)phenyl]amino]ethyl]pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-1-[2-oxo-2-[3-[2-(2-pyridyl)ethynyl]anilino]ethyl]pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-[2-oxo-2-[3-[2-(2-pyridinyl)ethynyl]anilino]ethyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-1-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]pyrrole-3-carboxylate Traditional Name: 1-[2-keto-2-[3-[2-(2-pyridyl)ethynyl]anilino]ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C24H23N3O3 MolecularWeight: 401.45772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3)C

InChI

InChI=1S/C24H23N3O3/c1-4-30-24(29)22-14-17(2)27(18(22)3)16-23(28)26-21-10-7-8-19(15-21)11-12-20-9-5-6-13-25-20/h5-10,13-15H,4,16H2,1-3H3,(H,26,28)