6-(aminomethyl)-5-phenyl-oxane-2,4-dicarboxylic acid hydrochloride

Systemtic Name: 6-(aminomethyl)-5-phenyl-oxane-2,4-dicarboxylic acid hydrochloride Openeye Name: 6-(aminomethyl)-5-phenyl-tetrahydropyran-2,4-dicarboxylic acid hydrochloride CAS Name: 6-(aminomethyl)-5-phenyloxane-2,4-dicarboxylic acid hydrochloride IUPAC Name: 6-(aminomethyl)-5-phenyloxane-2,4-dicarboxylic acid hydrochloride Traditional Name: 6-(aminomethyl)-5-phenyl-tetrahydropyran-2,4-dicarboxylic acid hydrochloride Formula: C14H18ClNO5 MolecularWeight: 315.74942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(OC1C(=O)O)CN)C2=CC=CC=C2)C(=O)O.Cl

Isomeric SMILES

C1C(C(C(OC1C(=O)O)CN)C2=CC=CC=C2)C(=O)O.Cl

InChI

InChI=1S/C14H17NO5.ClH/c15-7-11-12(8-4-2-1-3-5-8)9(13(16)17)6-10(20-11)14(18)19;/h1-5,9-12H,6-7,15H2,(H,16,17)(H,18,19);1H