2-oxidanylpropane-1,2,3-tricarboxylic acid; [2-prop-2-ynoxy-4-(pyrrolidin-1-ylmethyl)phenyl] N-methylcarbamate

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; [2-prop-2-ynoxy-4-(pyrrolidin-1-ylmethyl)phenyl] N-methylcarbamate Openeye Name: citric acid; [2-prop-2-ynoxy-4-(pyrrolidin-1-ylmethyl)phenyl] N-methylcarbamate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; N-methylcarbamic acid [2-prop-2-ynoxy-4-(1-pyrrolidinylmethyl)phenyl] ester IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; [2-prop-2-ynoxy-4-(pyrrolidin-1-ylmethyl)phenyl] N-methylcarbamate Traditional Name: citric acid; N-methylcarbamic acid [2-propargyloxy-4-(pyrrolidinomethyl)phenyl] ester Formula: C22H28N2O10 MolecularWeight: 480.46512

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)OC1=C(C=C(C=C1)CN2CCCC2)OCC#C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CNC(=O)OC1=C(C=C(C=C1)CN2CCCC2)OCC#C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C16H20N2O3.C6H8O7/c1-3-10-20-15-11-13(12-18-8-4-5-9-18)6-7-14(15)21-16(19)17-2;7-3(8)1-6(13,5(11)12)2-4(9)10/h1,6-7,11H,4-5,8-10,12H2,2H3,(H,17,19);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)