N-(2-diethylaminoethyl)-2-(2-methyl-1,3-benzodioxol-2-yl)ethanamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: N-(2-diethylaminoethyl)-2-(2-methyl-1,3-benzodioxol-2-yl)ethanamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; N-(2-diethylaminoethyl)-2-(2-methyl-1,3-benzodioxol-2-yl)acetamide CAS Name: N-(2-diethylaminoethyl)-2-(2-methyl-1,3-benzodioxol-2-yl)acetamide; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: N-(2-diethylaminoethyl)-2-(2-methyl-1,3-benzodioxol-2-yl)acetamide; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; N-(2-diethylaminoethyl)-2-(2-methyl-1,3-benzodioxol-2-yl)acetamide Formula: C22H32N2O10 MolecularWeight: 484.49688

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)CC1(OC2=CC=CC=C2O1)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCNC(=O)CC1(OC2=CC=CC=C2O1)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C16H24N2O3.C6H8O7/c1-4-18(5-2)11-10-17-15(19)12-16(3)20-13-8-6-7-9-14(13)21-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-9H,4-5,10-12H2,1-3H3,(H,17,19);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)