(2R,3S)-2-azaniumyl-3-(4-methoxy-2,6-dimethyl-phenyl)-4-methyl-pentanoate

Systemtic Name: (2R,3S)-2-azaniumyl-3-(4-methoxy-2,6-dimethyl-phenyl)-4-methyl-pentanoate Openeye Name: (2R,3S)-2-azaniumyl-3-(4-methoxy-2,6-dimethyl-phenyl)-4-methyl-pentanoate CAS Name: (2R,3S)-2-ammonio-3-(4-methoxy-2,6-dimethylphenyl)-4-methylpentanoate IUPAC Name: (2R,3S)-2-azaniumyl-3-(4-methoxy-2,6-dimethylphenyl)-4-methylpentanoate Traditional Name: (2R,3S)-2-ammonio-3-(4-methoxy-2,6-dimethyl-phenyl)-4-methyl-valerate Formula: C15H23NO3 MolecularWeight: 265.34802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(C(C)C)C(C(=O)[O-])[NH3+])C)OC

Isomeric SMILES

CC1=CC(=CC(=C1[C@@H]([C@H](C(=O)[O-])[NH3+])C(C)C)C)OC

InChI

InChI=1S/C15H23NO3/c1-8(2)12(14(16)15(17)18)13-9(3)6-11(19-5)7-10(13)4/h6-8,12,14H,16H2,1-5H3,(H,17,18)/t12-,14+/m0/s1