2-(2-diethylaminoethyloxy)ethyl 1-phenylcyclopentane-1-carboxylate; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 2-(2-diethylaminoethyloxy)ethyl 1-phenylcyclopentane-1-carboxylate; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 2-(2-diethylaminoethyloxy)ethyl 1-phenylcyclopentanecarboxylate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 1-phenyl-1-cyclopentanecarboxylic acid 2-(2-diethylaminoethyloxy)ethyl ester IUPAC Name: 2-(2-diethylaminoethyloxy)ethyl 1-phenylcyclopentane-1-carboxylate; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 1-phenylcyclopentanecarboxylic acid 2-(2-diethylaminoethyloxy)ethyl ester Formula: C32H47NO17 MolecularWeight: 717.71208

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C20H31NO3.2C6H8O7/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18;2*7-3(8)1-6(13,5(11)12)2-4(9)10/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3;2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)