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

Systemtic Name: methyl 2,4-dimethyl-5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[[4-(4-pyridylmethyl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[4-(pyridin-4-ylmethyl)anilino]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[[4-(4-pyridylmethyl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3

InChI

InChI=1S/C21H21N3O3/c1-13-18(21(26)27-3)14(2)23-19(13)20(25)24-17-6-4-15(5-7-17)12-16-8-10-22-11-9-16/h4-11,23H,12H2,1-3H3,(H,24,25)