(4R)-4-azaniumyl-4-[4-(2-methylpropyl)phenyl]butanoate

Systemtic Name: (4R)-4-azaniumyl-4-[4-(2-methylpropyl)phenyl]butanoate Openeye Name: (4R)-4-azaniumyl-4-(4-isobutylphenyl)butanoate CAS Name: (4R)-4-ammonio-4-[4-(2-methylpropyl)phenyl]butanoate IUPAC Name: (4R)-4-azaniumyl-4-[4-(2-methylpropyl)phenyl]butanoate Traditional Name: (4R)-4-ammonio-4-(4-isobutylphenyl)butyrate Formula: C14H21NO2 MolecularWeight: 235.32204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(CCC(=O)[O-])[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO2/c1-10(2)9-11-3-5-12(6-4-11)13(15)7-8-14(16)17/h3-6,10,13H,7-9,15H2,1-2H3,(H,16,17)/t13-/m1/s1