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

Systemtic Name: ethyl 3,5-dimethyl-4-[2-[3-methylbutanoyl(pyridin-4-ylmethyl)amino]ethanoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[2-[3-methylbutanoyl(4-pyridylmethyl)amino]acetyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[2-[(3-methyl-1-oxobutyl)-(pyridin-4-ylmethyl)amino]-1-oxoethyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[2-[3-methylbutanoyl(pyridin-4-ylmethyl)amino]acetyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[isovaleryl(4-pyridylmethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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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)CC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4/c1-6-29-22(28)21-15(4)20(16(5)24-21)18(26)13-25(19(27)11-14(2)3)12-17-7-9-23-10-8-17/h7-10,14,24H,6,11-13H2,1-5H3