(5R)-5-azaniumyl-5-(2,5-dimethoxyphenyl)pentanoate

Systemtic Name: (5R)-5-azaniumyl-5-(2,5-dimethoxyphenyl)pentanoate Openeye Name: (5R)-5-azaniumyl-5-(2,5-dimethoxyphenyl)pentanoate CAS Name: (5R)-5-ammonio-5-(2,5-dimethoxyphenyl)pentanoate IUPAC Name: (5R)-5-azaniumyl-5-(2,5-dimethoxyphenyl)pentanoate Traditional Name: (5R)-5-ammonio-5-(2,5-dimethoxyphenyl)valerate Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(CCCC(=O)[O-])[NH3+]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@@H](CCCC(=O)[O-])[NH3+]

InChI

InChI=1S/C13H19NO4/c1-17-9-6-7-12(18-2)10(8-9)11(14)4-3-5-13(15)16/h6-8,11H,3-5,14H2,1-2H3,(H,15,16)/t11-/m1/s1