(2S)-4-[di(propan-2-yl)azaniumyl]-2-(4-methoxyphenyl)butanoate

Systemtic Name: (2S)-4-[di(propan-2-yl)azaniumyl]-2-(4-methoxyphenyl)butanoate Openeye Name: (2S)-4-(diisopropylammonio)-2-(4-methoxyphenyl)butanoate CAS Name: (2S)-4-[di(propan-2-yl)ammonio]-2-(4-methoxyphenyl)butanoate IUPAC Name: (2S)-4-[di(propan-2-yl)azaniumyl]-2-(4-methoxyphenyl)butanoate Traditional Name: (2S)-4-(diisopropylammonio)-2-(4-methoxyphenyl)butyrate Formula: C17H27NO3 MolecularWeight: 293.40118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO3/c1-12(2)18(13(3)4)11-10-16(17(19)20)14-6-8-15(21-5)9-7-14/h6-9,12-13,16H,10-11H2,1-5H3,(H,19,20)/t16-/m0/s1