benzoic acid; 1-(4-methylpiperidin-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol

Systemtic Name: benzoic acid; 1-(4-methylpiperidin-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol Openeye Name: 1-(2-allylphenoxy)-3-(4-methyl-1-piperidyl)propan-2-ol; benzoic acid CAS Name: benzoic acid; 1-(4-methyl-1-piperidinyl)-3-(2-prop-2-enylphenoxy)-2-propanol IUPAC Name: benzoic acid; 1-(4-methylpiperidin-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol Traditional Name: 1-(2-allylphenoxy)-3-(4-methylpiperidino)propan-2-ol; benzoic acid Formula: C25H33NO4 MolecularWeight: 411.53382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CC(COC2=CC=CC=C2CC=C)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC1CCN(CC1)CC(COC2=CC=CC=C2CC=C)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C18H27NO2.C7H6O2/c1-3-6-16-7-4-5-8-18(16)21-14-17(20)13-19-11-9-15(2)10-12-19;8-7(9)6-4-2-1-3-5-6/h3-5,7-8,15,17,20H,1,6,9-14H2,2H3;1-5H,(H,8,9)