ethyl 2,4-dimethyl-5-[[3-(2-pyridin-2-ylethynyl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[[3-(2-pyridin-2-ylethynyl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[[3-[2-(2-pyridyl)ethynyl]phenyl]carbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[3-[2-(2-pyridinyl)ethynyl]anilino]methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[[3-(2-pyridin-2-ylethynyl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[[3-[2-(2-pyridyl)ethynyl]phenyl]carbamoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H21N3O3 MolecularWeight: 387.43114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3)C

InChI

InChI=1S/C23H21N3O3/c1-4-29-23(28)20-15(2)21(25-16(20)3)22(27)26-19-10-7-8-17(14-19)11-12-18-9-5-6-13-24-18/h5-10,13-14,25H,4H2,1-3H3,(H,26,27)