(2R)-4-(4-tert-butylphenyl)-2-[(4-methoxyphenyl)methylazaniumyl]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-(4-tert-butylphenyl)-2-[(4-methoxyphenyl)methylazaniumyl]-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-tert-butylphenyl)-2-[(4-methoxyphenyl)methylammonio]-4-oxo-butanoate CAS Name: (2R)-4-(4-tert-butylphenyl)-2-[(4-methoxyphenyl)methylammonio]-4-oxobutanoate IUPAC Name: (2R)-4-(4-tert-butylphenyl)-2-[(4-methoxyphenyl)methylazaniumyl]-4-oxobutanoate Traditional Name: (2R)-4-(4-tert-butylphenyl)-4-keto-2-(p-anisylammonio)butyrate Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CC(C(=O)[O-])[NH2+]CC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C[C@H](C(=O)[O-])[NH2+]CC2=CC=C(C=C2)OC

InChI

InChI=1S/C22H27NO4/c1-22(2,3)17-9-7-16(8-10-17)20(24)13-19(21(25)26)23-14-15-5-11-18(27-4)12-6-15/h5-12,19,23H,13-14H2,1-4H3,(H,25,26)/t19-/m1/s1