[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H21N3O4 MolecularWeight: 343.37704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4/c1-18(2,3)20-17(24)19-15(22)12-25-16(23)13-6-8-14(9-7-13)21-10-4-5-11-21/h4-11H,12H2,1-3H3,(H2,19,20,22,24)