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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)NCCC#N)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)NCCC#N)C

InChI

InChI=1S/C18H19N3O3/c1-13-4-5-14(2)21(13)16-8-6-15(7-9-16)18(23)24-12-17(22)20-11-3-10-19/h4-9H,3,11-12H2,1-2H3,(H,20,22)