[2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: [2-[4-(hexanoylamino)phenyl]-2-oxo-ethyl] 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid [2-oxo-2-[4-(1-oxohexylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid [2-[4-(caproylamino)phenyl]-2-keto-ethyl] ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CN2C)C(=O)C

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CN2C)C(=O)C

InChI

InChI=1S/C22H26N2O5/c1-4-5-6-7-21(27)23-18-10-8-16(9-11-18)20(26)14-29-22(28)19-12-17(15(2)25)13-24(19)3/h8-13H,4-7,14H2,1-3H3,(H,23,27)