ethyl 1,3,5-trimethyl-4-[2-[3-methylbutanoyl(pyridin-3-ylmethyl)amino]propanoyl]pyrrole-2-carboxylate

Systemtic Name: ethyl 1,3,5-trimethyl-4-[2-[3-methylbutanoyl(pyridin-3-ylmethyl)amino]propanoyl]pyrrole-2-carboxylate Openeye Name: ethyl 1,3,5-trimethyl-4-[2-[3-methylbutanoyl(3-pyridylmethyl)amino]propanoyl]pyrrole-2-carboxylate CAS Name: 1,3,5-trimethyl-4-[2-[(3-methyl-1-oxobutyl)-(3-pyridinylmethyl)amino]-1-oxopropyl]-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,3,5-trimethyl-4-[2-[3-methylbutanoyl(pyridin-3-ylmethyl)amino]propanoyl]pyrrole-2-carboxylate Traditional Name: 4-[2-[isovaleryl(3-pyridylmethyl)amino]propanoyl]-1,3,5-trimethyl-pyrrole-2-carboxylic acid ethyl ester Formula: C24H33N3O4 MolecularWeight: 427.53652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)C(C)N(CC2=CN=CC=C2)C(=O)CC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)C(C)N(CC2=CN=CC=C2)C(=O)CC(C)C)C

InChI

InChI=1S/C24H33N3O4/c1-8-31-24(30)22-16(4)21(17(5)26(22)7)23(29)18(6)27(20(28)12-15(2)3)14-19-10-9-11-25-13-19/h9-11,13,15,18H,8,12,14H2,1-7H3