[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-propan-2-ylbenzoate

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-propan-2-ylbenzoate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C19H23NO3 MolecularWeight: 313.39082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C19H23NO3/c1-12(2)15-6-8-16(9-7-15)19(22)23-11-18(21)17-10-13(3)20(5)14(17)4/h6-10,12H,11H2,1-5H3