[2-(heptan-2-ylamino)-2-oxidanylidene-ethyl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-(heptan-2-ylamino)-2-oxidanylidene-ethyl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(1-methylhexylamino)-2-oxo-ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-(heptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(heptan-2-ylamino)-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-keto-2-(1-methylhexylamino)ethyl] ester Formula: C18H28N2O4 MolecularWeight: 336.42592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)COC(=O)C1=C(C(=C(N1)C)C(=O)C)C

Isomeric SMILES

CCCCCC(C)NC(=O)COC(=O)C1=C(C(=C(N1)C)C(=O)C)C

InChI

InChI=1S/C18H28N2O4/c1-6-7-8-9-11(2)19-15(22)10-24-18(23)17-12(3)16(14(5)21)13(4)20-17/h11,20H,6-10H2,1-5H3,(H,19,22)