(Z)-but-2-enedioic acid; 3-[(1R,2R)-2-(dimethylaminomethyl)cyclohexyl]phenol

Systemtic Name: (Z)-but-2-enedioic acid; 3-[(1R,2R)-2-(dimethylaminomethyl)cyclohexyl]phenol Openeye Name: 3-[(1R,2R)-2-(dimethylaminomethyl)cyclohexyl]phenol; maleic acid CAS Name: (Z)-2-butenedioic acid; 3-[(1R,2R)-2-(dimethylaminomethyl)cyclohexyl]phenol IUPAC Name: (Z)-but-2-enedioic acid; 3-[(1R,2R)-2-(dimethylaminomethyl)cyclohexyl]phenol Traditional Name: 3-[(1R,2R)-2-(dimethylaminomethyl)cyclohexyl]phenol; maleic acid Formula: C19H27NO5 MolecularWeight: 349.42138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CCCCC1C2=CC(=CC=C2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)C[C@@H]1CCCC[C@H]1C2=CC(=CC=C2)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C15H23NO.C4H4O4/c1-16(2)11-13-6-3-4-9-15(13)12-7-5-8-14(17)10-12;5-3(6)1-2-4(7)8/h5,7-8,10,13,15,17H,3-4,6,9,11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t13-,15-;/m0./s1