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

Systemtic Name: cyclohexyl-[4-(2-diethylaminoethyloxy)phenyl]-phenyl-methanol; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; cyclohexyl-[4-(2-diethylaminoethyloxy)phenyl]-phenyl-methanol CAS Name: cyclohexyl-[4-(2-diethylaminoethyloxy)phenyl]-phenylmethanol; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: cyclohexyl-[4-(2-diethylaminoethyloxy)phenyl]-phenylmethanol; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; cyclohexyl-[4-(2-diethylaminoethyloxy)phenyl]-phenyl-methanol Formula: C31H43NO9 MolecularWeight: 573.67442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=C(C=C1)C(C2CCCCC2)(C3=CC=CC=C3)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCOC1=CC=C(C=C1)C(C2CCCCC2)(C3=CC=CC=C3)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C25H35NO2.C6H8O7/c1-3-26(4-2)19-20-28-24-17-15-23(16-18-24)25(27,21-11-7-5-8-12-21)22-13-9-6-10-14-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h5,7-8,11-12,15-18,22,27H,3-4,6,9-10,13-14,19-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)