4-(diethylamino)-1-[2-(phenylcarbonyl)pyrrol-1-yl]butan-2-one; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 4-(diethylamino)-1-[2-(phenylcarbonyl)pyrrol-1-yl]butan-2-one; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 1-(2-benzoylpyrrol-1-yl)-4-(diethylamino)butan-2-one citrate CAS Name: 1-(2-benzoyl-1-pyrrolyl)-4-(diethylamino)-2-butanone; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 1-(2-benzoylpyrrol-1-yl)-4-(diethylamino)butan-2-one; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 1-(2-benzoylpyrrol-1-yl)-4-(diethylamino)butan-2-one citrate Formula: C25H29N2O9-3 MolecularWeight: 501.50576

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC(=O)CN1C=CC=C1C(=O)C2=CC=CC=C2.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCN(CC)CCC(=O)CN1C=CC=C1C(=O)C2=CC=CC=C2.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C19H24N2O2.C6H8O7/c1-3-20(4-2)14-12-17(22)15-21-13-8-11-18(21)19(23)16-9-6-5-7-10-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-11,13H,3-4,12,14-15H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3