[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-tert-butylbenzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-tert-butylbenzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C17H19NO3 MolecularWeight: 285.33766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=CN2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=CN2

InChI

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