methyl 2-ethyl-4-methyl-5-[(3-methylbutanoylamino)carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-ethyl-4-methyl-5-[(3-methylbutanoylamino)carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2-ethyl-4-methyl-5-[(3-methylbutanoylamino)carbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2-ethyl-4-methyl-5-[[(3-methyl-1-oxobutyl)hydrazo]-oxomethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-4-methyl-5-[(3-methylbutanoylamino)carbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2-ethyl-5-[(isovalerylamino)carbamoyl]-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C15H23N3O4 MolecularWeight: 309.36082

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)NNC(=O)CC(C)C)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)NNC(=O)CC(C)C)C)C(=O)OC

InChI

InChI=1S/C15H23N3O4/c1-6-10-12(15(21)22-5)9(4)13(16-10)14(20)18-17-11(19)7-8(2)3/h8,16H,6-7H2,1-5H3,(H,17,19)(H,18,20)