[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 4-(morpholin-4-ylmethyl)benzoate

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 4-(morpholin-4-ylmethyl)benzoate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 4-(morpholinomethyl)benzoate CAS Name: 4-(4-morpholinylmethyl)benzoic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate Traditional Name: 4-(morpholinomethyl)benzoic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=CC=C(C=C2)CN3CCOCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=CC=C(C=C2)CN3CCOCC3

InChI

InChI=1S/C22H26N2O5/c1-14-20(16(3)25)15(2)23-21(14)19(26)13-29-22(27)18-6-4-17(5-7-18)12-24-8-10-28-11-9-24/h4-7,23H,8-13H2,1-3H3