1-morpholin-4-yl-4-[2-(phenylcarbonyl)pyrrol-1-yl]pentan-3-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 1-morpholin-4-yl-4-[2-(phenylcarbonyl)pyrrol-1-yl]pentan-3-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: 4-(2-benzoylpyrrol-1-yl)-1-morpholino-pentan-3-one; citric acid CAS Name: 4-(2-benzoyl-1-pyrrolyl)-1-(4-morpholinyl)-3-pentanone; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 4-(2-benzoylpyrrol-1-yl)-1-morpholin-4-ylpentan-3-one; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 4-(2-benzoylpyrrol-1-yl)-1-morpholino-pentan-3-one; citric acid Formula: C26H32N2O10 MolecularWeight: 532.53968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)CCN1CCOCC1)N2C=CC=C2C(=O)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CC(C(=O)CCN1CCOCC1)N2C=CC=C2C(=O)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C20H24N2O3.C6H8O7/c1-16(19(23)9-11-21-12-14-25-15-13-21)22-10-5-8-18(22)20(24)17-6-3-2-4-7-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-8,10,16H,9,11-15H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)