[2-(4-butylphenyl)-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate

Systemtic Name: [2-(4-butylphenyl)-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate Openeye Name: [2-(4-butylphenyl)-2-oxo-ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [2-(4-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butylphenyl)-2-oxoethyl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [2-(4-butylphenyl)-2-keto-ethyl] ester Formula: C17H19NO3 MolecularWeight: 285.33766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CN2

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CN2

InChI

InChI=1S/C17H19NO3/c1-2-3-5-13-7-9-14(10-8-13)16(19)12-21-17(20)15-6-4-11-18-15/h4,6-11,18H,2-3,5,12H2,1H3