ethyl 3-(1-phenylethyl)imidazole-4-carboxylate; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: ethyl 3-(1-phenylethyl)imidazole-4-carboxylate; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; ethyl 3-(1-phenylethyl)imidazole-4-carboxylate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 3-(1-phenylethyl)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(1-phenylethyl)imidazole-4-carboxylate; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 3-(1-phenylethyl)imidazole-4-carboxylic acid ethyl ester Formula: C20H24N2O9 MolecularWeight: 436.41256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=CN1C(C)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=CN=CN1C(C)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C14H16N2O2.C6H8O7/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-11H,3H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)