[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 6-morpholin-4-ylpyridine-3-carboxylate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 6-morpholin-4-ylpyridine-3-carboxylate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 6-morpholinopyridine-3-carboxylate CAS Name: 6-(4-morpholinyl)-3-pyridinecarboxylic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate Traditional Name: 6-morpholinonicotinic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=CN=C(C=C2)N3CCOCC3

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=CN=C(C=C2)N3CCOCC3

InChI

InChI=1S/C21H25N3O4/c1-4-7-24-15(2)12-18(16(24)3)19(25)14-28-21(26)17-5-6-20(22-13-17)23-8-10-27-11-9-23/h4-6,12-13H,1,7-11,14H2,2-3H3