2-diethylaminoethyl 2-[4-(phenylmethyl)phenoxy]ethanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 2-diethylaminoethyl 2-[4-(phenylmethyl)phenoxy]ethanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 2-diethylaminoethyl 2-(4-benzylphenoxy)acetate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-[4-(phenylmethyl)phenoxy]acetic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 2-(4-benzylphenoxy)acetate; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 2-(4-benzylphenoxy)acetic acid 2-diethylaminoethyl ester; citric acid Formula: C27H35NO10 MolecularWeight: 533.5675

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)COC1=CC=C(C=C1)CC2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCOC(=O)COC1=CC=C(C=C1)CC2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C21H27NO3.C6H8O7/c1-3-22(4-2)14-15-24-21(23)17-25-20-12-10-19(11-13-20)16-18-8-6-5-7-9-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-13H,3-4,14-17H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)