[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2,3,4,5,6-pentamethylbenzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2,3,4,5,6-pentamethylbenzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,3,4,5,6-pentamethylbenzoate CAS Name: 2,3,4,5,6-pentamethylbenzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,3,4,5,6-pentamethylbenzoate Traditional Name: 2,3,4,5,6-pentamethylbenzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)C(=O)OCC(=O)C2=CC=CN2)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)C(=O)OCC(=O)C2=CC=CN2)C)C

InChI

InChI=1S/C18H21NO3/c1-10-11(2)13(4)17(14(5)12(10)3)18(21)22-9-16(20)15-7-6-8-19-15/h6-8,19H,9H2,1-5H3