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

Systemtic Name: ethyl 4-[2-[tert-butylcarbamoyl(pyridin-4-ylmethyl)amino]ethanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-[tert-butylcarbamoyl(4-pyridylmethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[[(tert-butylamino)-oxomethyl]-(pyridin-4-ylmethyl)amino]-1-oxoethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[tert-butylcarbamoyl(pyridin-4-ylmethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[tert-butylcarbamoyl(4-pyridylmethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C22H30N4O4 MolecularWeight: 414.498

Click to see the large picture

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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O4/c1-7-30-20(28)19-14(2)18(15(3)24-19)17(27)13-26(21(29)25-22(4,5)6)12-16-8-10-23-11-9-16/h8-11,24H,7,12-13H2,1-6H3,(H,25,29)