3-(morpholin-4-ylmethyl)-4-oxidanyl-benzoic acid hydrate

Systemtic Name: 3-(morpholin-4-ylmethyl)-4-oxidanyl-benzoic acid hydrate Openeye Name: 4-hydroxy-3-(morpholinomethyl)benzoic acid hydrate CAS Name: 4-hydroxy-3-(4-morpholinylmethyl)benzoic acid hydrate IUPAC Name: 4-hydroxy-3-(morpholin-4-ylmethyl)benzoic acid hydrate Traditional Name: 4-hydroxy-3-(morpholinomethyl)benzoic acid hydrate Formula: C12H17NO5 MolecularWeight: 255.26708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=C(C=CC(=C2)C(=O)O)O.O

Isomeric SMILES

C1COCCN1CC2=C(C=CC(=C2)C(=O)O)O.O

InChI

InChI=1S/C12H15NO4.H2O/c14-11-2-1-9(12(15)16)7-10(11)8-13-3-5-17-6-4-13;/h1-2,7,14H,3-6,8H2,(H,15,16);1H2