4-[[cyclohexyl(methyl)amino]methyl]benzoic acid hydrate

Systemtic Name: 4-[[cyclohexyl(methyl)amino]methyl]benzoic acid hydrate Openeye Name: 4-[[cyclohexyl(methyl)amino]methyl]benzoic acid hydrate CAS Name: 4-[[cyclohexyl(methyl)amino]methyl]benzoic acid hydrate IUPAC Name: 4-[[cyclohexyl(methyl)amino]methyl]benzoic acid hydrate Traditional Name: 4-[[cyclohexyl(methyl)amino]methyl]benzoic acid hydrate Formula: C15H23NO3 MolecularWeight: 265.34802

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)O)C2CCCCC2.O

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)O)C2CCCCC2.O

InChI

InChI=1S/C15H21NO2.H2O/c1-16(14-5-3-2-4-6-14)11-12-7-9-13(10-8-12)15(17)18;/h7-10,14H,2-6,11H2,1H3,(H,17,18);1H2