O2-[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-(butylcarbamoylamino)-2-oxo-ethyl] O4-isopropyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester O4-propan-2-yl ester IUPAC Name: 2-O-[2-(butylcarbamoylamino)-2-oxoethyl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-(butylcarbamoylamino)-2-keto-ethyl] ester O4-isopropyl ester Formula: C18H27N3O6 MolecularWeight: 381.42348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)C1=C(C(=C(N1)C)C(=O)OC(C)C)C

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)C1=C(C(=C(N1)C)C(=O)OC(C)C)C

InChI

InChI=1S/C18H27N3O6/c1-6-7-8-19-18(25)21-13(22)9-26-17(24)15-11(4)14(12(5)20-15)16(23)27-10(2)3/h10,20H,6-9H2,1-5H3,(H2,19,21,22,25)