2-(carboxymethyl)-2,4-bis(oxidanyl)-4-oxidanylidene-butanoate; 4-morpholin-4-ium-4-yl-1-phenyl-1-[2-(phenylcarbonyl)pyrrol-1-yl]butan-2-one

Systemtic Name: 2-(carboxymethyl)-2,4-bis(oxidanyl)-4-oxidanylidene-butanoate; 4-morpholin-4-ium-4-yl-1-phenyl-1-[2-(phenylcarbonyl)pyrrol-1-yl]butan-2-one Openeye Name: 1-(2-benzoylpyrrol-1-yl)-4-morpholin-4-ium-4-yl-1-phenyl-butan-2-one; 2-(carboxymethyl)-2,4-dihydroxy-4-oxo-butanoate CAS Name: 1-(2-benzoyl-1-pyrrolyl)-4-(4-morpholin-4-iumyl)-1-phenyl-2-butanone; 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate IUPAC Name: 1-(2-benzoylpyrrol-1-yl)-4-morpholin-4-ium-4-yl-1-phenylbutan-2-one; 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate Traditional Name: 1-(2-benzoylpyrrol-1-yl)-4-morpholin-4-ium-4-yl-1-phenyl-butan-2-one; 2-(carboxymethyl)-2,4-dihydroxy-4-keto-butyrate Formula: C31H34N2O10 MolecularWeight: 594.60906

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCC(=O)C(C2=CC=CC=C2)N3C=CC=C3C(=O)C4=CC=CC=C4.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O

Isomeric SMILES

C1COCC[NH+]1CCC(=O)C(C2=CC=CC=C2)N3C=CC=C3C(=O)C4=CC=CC=C4.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O

InChI

InChI=1S/C25H26N2O3.C6H8O7/c28-23(13-15-26-16-18-30-19-17-26)24(20-8-3-1-4-9-20)27-14-7-12-22(27)25(29)21-10-5-2-6-11-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-12,14,24H,13,15-19H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)