(4R)-4-azaniumyl-5-(2,4-dimethoxyphenyl)pentanoate

Systemtic Name: (4R)-4-azaniumyl-5-(2,4-dimethoxyphenyl)pentanoate Openeye Name: (4R)-4-azaniumyl-5-(2,4-dimethoxyphenyl)pentanoate CAS Name: (4R)-4-ammonio-5-(2,4-dimethoxyphenyl)pentanoate IUPAC Name: (4R)-4-azaniumyl-5-(2,4-dimethoxyphenyl)pentanoate Traditional Name: (4R)-4-ammonio-5-(2,4-dimethoxyphenyl)valerate Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4/c1-17-11-5-3-9(12(8-11)18-2)7-10(14)4-6-13(15)16/h3,5,8,10H,4,6-7,14H2,1-2H3,(H,15,16)/t10-/m1/s1