(Z)-but-2-enedioic acid; 1-cyclooctyloxy-3-[(phenylmethyl)amino]propan-2-ol

Systemtic Name: (Z)-but-2-enedioic acid; 1-cyclooctyloxy-3-[(phenylmethyl)amino]propan-2-ol Openeye Name: 1-(benzylamino)-3-(cyclooctoxy)propan-2-ol; maleic acid CAS Name: (Z)-2-butenedioic acid; 1-cyclooctyloxy-3-[(phenylmethyl)amino]-2-propanol IUPAC Name: 1-(benzylamino)-3-cyclooctyloxypropan-2-ol; (Z)-but-2-enedioic acid Traditional Name: 1-(benzylamino)-3-(cyclooctoxy)propan-2-ol; maleic acid Formula: C22H33NO6 MolecularWeight: 407.50052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)OCC(CNCC2=CC=CC=C2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCCC(CCC1)OCC(CNCC2=CC=CC=C2)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C18H29NO2.C4H4O4/c20-17(14-19-13-16-9-5-4-6-10-16)15-21-18-11-7-2-1-3-8-12-18;5-3(6)1-2-4(7)8/h4-6,9-10,17-20H,1-3,7-8,11-15H2;1-2H,(H,5,6)(H,7,8)/b;2-1-