ethyl 4-[2-[(3-chlorophenyl)amino]pyrimidin-4-yl]-5-methyl-3-phenyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[2-[(3-chlorophenyl)amino]pyrimidin-4-yl]-5-methyl-3-phenyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-(3-chloroanilino)pyrimidin-4-yl]-5-methyl-3-phenyl-1H-pyrrole-2-carboxylate CAS Name: 4-[2-(3-chloroanilino)-4-pyrimidinyl]-5-methyl-3-phenyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-chloroanilino)pyrimidin-4-yl]-5-methyl-3-phenyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-(3-chloroanilino)pyrimidin-4-yl]-5-methyl-3-phenyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C24H21ClN4O2 MolecularWeight: 432.90214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C2=NC(=NC=C2)NC3=CC(=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C2=NC(=NC=C2)NC3=CC(=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C24H21ClN4O2/c1-3-31-23(30)22-21(16-8-5-4-6-9-16)20(15(2)27-22)19-12-13-26-24(29-19)28-18-11-7-10-17(25)14-18/h4-14,27H,3H2,1-2H3,(H,26,28,29)