[1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[4-(butanoylamino)phenyl]-1-methyl-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [1-oxo-1-[4-(1-oxobutylamino)phenyl]propan-2-yl] ester IUPAC Name: [1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-(4-butyramidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=CN2)C(=O)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=CN2)C(=O)C

InChI

InChI=1S/C20H22N2O5/c1-4-5-18(24)22-16-8-6-14(7-9-16)19(25)13(3)27-20(26)17-10-15(11-21-17)12(2)23/h6-11,13,21H,4-5H2,1-3H3,(H,22,24)