[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC=C(C=C1)N2C(=CC=C2C)C

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC=C(C=C1)N2C(=CC=C2C)C

InChI

InChI=1S/C20H26N2O3/c1-5-17(6-2)21-19(23)13-25-20(24)16-9-11-18(12-10-16)22-14(3)7-8-15(22)4/h7-12,17H,5-6,13H2,1-4H3,(H,21,23)