methyl 1-(4-oxaldehydoylphenyl)piperidine-4-carboxylate hydrate

Systemtic Name: methyl 1-(4-oxaldehydoylphenyl)piperidine-4-carboxylate hydrate Openeye Name: methyl 1-(4-oxaldehydoylphenyl)piperidine-4-carboxylate hydrate CAS Name: 1-(4-oxaldehydoylphenyl)-4-piperidinecarboxylic acid methyl ester hydrate IUPAC Name: methyl 1-(4-oxaldehydoylphenyl)piperidine-4-carboxylate hydrate Traditional Name: 1-(4-glyoxyloylphenyl)isonipecotic acid methyl ester hydrate Formula: C15H19NO5 MolecularWeight: 293.31506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=CC=C(C=C2)C(=O)C=O.O

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=CC=C(C=C2)C(=O)C=O.O

InChI

InChI=1S/C15H17NO4.H2O/c1-20-15(19)12-6-8-16(9-7-12)13-4-2-11(3-5-13)14(18)10-17;/h2-5,10,12H,6-9H2,1H3;1H2