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

Systemtic Name: 1-[4-(2-diethylaminoethyloxy)phenyl]-3-phenyl-propan-1-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 1-[4-(2-diethylaminoethyloxy)phenyl]-3-phenyl-propan-1-one CAS Name: 1-[4-(2-diethylaminoethyloxy)phenyl]-3-phenyl-1-propanone; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 1-[4-(2-diethylaminoethyloxy)phenyl]-3-phenylpropan-1-one; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 1-[4-(2-diethylaminoethyloxy)phenyl]-3-phenyl-propan-1-one Formula: C27H35NO9 MolecularWeight: 517.5681

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=C(C=C1)C(=O)CCC2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCOC1=CC=C(C=C1)C(=O)CCC2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C21H27NO2.C6H8O7/c1-3-22(4-2)16-17-24-20-13-11-19(12-14-20)21(23)15-10-18-8-6-5-7-9-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-9,11-14H,3-4,10,15-17H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)