3-[2-(2-diethylaminoethyloxy)phenoxy]-4-phenyl-butan-2-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 3-[2-(2-diethylaminoethyloxy)phenoxy]-4-phenyl-butan-2-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 3-[2-(2-diethylaminoethyloxy)phenoxy]-4-phenyl-butan-2-one CAS Name: 3-[2-(2-diethylaminoethyloxy)phenoxy]-4-phenyl-2-butanone; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 3-[2-(2-diethylaminoethyloxy)phenoxy]-4-phenylbutan-2-one; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 3-[2-(2-diethylaminoethyloxy)phenoxy]-4-phenyl-butan-2-one Formula: C28H37NO10 MolecularWeight: 547.59408

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=CC=C1OC(CC2=CC=CC=C2)C(=O)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCOC1=CC=CC=C1OC(CC2=CC=CC=C2)C(=O)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C22H29NO3.C6H8O7/c1-4-23(5-2)15-16-25-20-13-9-10-14-21(20)26-22(18(3)24)17-19-11-7-6-8-12-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-14,22H,4-5,15-17H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)