[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)NC(C)C)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)NC(C)C)C

InChI

InChI=1S/C18H22N2O3/c1-12(2)19-17(21)11-23-18(22)15-7-9-16(10-8-15)20-13(3)5-6-14(20)4/h5-10,12H,11H2,1-4H3,(H,19,21)