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

Systemtic Name: [1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 3-pyrrol-1-ylbenzoate Openeye Name: [2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 3-pyrrol-1-ylbenzoate CAS Name: 3-(1-pyrrolyl)benzoic acid [1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-1-oxopropan-2-yl] 3-pyrrol-1-ylbenzoate Traditional Name: 3-pyrrol-1-ylbenzoic acid [2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H22N2O3 MolecularWeight: 314.37888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3/c1-13(16(21)19-18(2,3)4)23-17(22)14-8-7-9-15(12-14)20-10-5-6-11-20/h5-13H,1-4H3,(H,19,21)