ethyl 3,5-dimethyl-4-[2-[propan-2-ylcarbamoyl(pyridin-4-ylmethyl)amino]ethanoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-[2-[propan-2-ylcarbamoyl(pyridin-4-ylmethyl)amino]ethanoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-[isopropylcarbamoyl(4-pyridylmethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[1-oxo-2-[[oxo-(propan-2-ylamino)methyl]-(pyridin-4-ylmethyl)amino]ethyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[2-[propan-2-ylcarbamoyl(pyridin-4-ylmethyl)amino]acetyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[isopropylcarbamoyl(4-pyridylmethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CN(CC2=CC=NC=C2)C(=O)NC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CN(CC2=CC=NC=C2)C(=O)NC(C)C)C

InChI

InChI=1S/C21H28N4O4/c1-6-29-20(27)19-14(4)18(15(5)24-19)17(26)12-25(21(28)23-13(2)3)11-16-7-9-22-10-8-16/h7-10,13,24H,6,11-12H2,1-5H3,(H,23,28)