[2-(tert-butylamino)-2-oxidanylidene-ethyl] 3-pyrrol-1-ylbenzoate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 3-pyrrol-1-ylbenzoate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] 3-pyrrol-1-ylbenzoate CAS Name: 3-(1-pyrrolyl)benzoic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] 3-pyrrol-1-ylbenzoate Traditional Name: 3-pyrrol-1-ylbenzoic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC(=O)C1=CC(=CC=C1)N2C=CC=C2

Isomeric SMILES

CC(C)(C)NC(=O)COC(=O)C1=CC(=CC=C1)N2C=CC=C2

InChI

InChI=1S/C17H20N2O3/c1-17(2,3)18-15(20)12-22-16(21)13-7-6-8-14(11-13)19-9-4-5-10-19/h4-11H,12H2,1-3H3,(H,18,20)