(2S)-2-[2-(1H-indol-3-yl)ethylazaniumyl]-4-(4-methylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (2S)-2-[2-(1H-indol-3-yl)ethylazaniumyl]-4-(4-methylphenyl)-4-oxidanylidene-butanoate Openeye Name: (2S)-2-[2-(1H-indol-3-yl)ethylammonio]-4-oxo-4-(p-tolyl)butanoate CAS Name: (2S)-2-[2-(1H-indol-3-yl)ethylammonio]-4-(4-methylphenyl)-4-oxobutanoate IUPAC Name: (2S)-2-[2-(1H-indol-3-yl)ethylazaniumyl]-4-(4-methylphenyl)-4-oxobutanoate Traditional Name: (2S)-2-[2-(1H-indol-3-yl)ethylammonio]-4-keto-4-(p-tolyl)butyrate Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C(=O)[O-])[NH2+]CCC2=CNC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[C@@H](C(=O)[O-])[NH2+]CCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H22N2O3/c1-14-6-8-15(9-7-14)20(24)12-19(21(25)26)22-11-10-16-13-23-18-5-3-2-4-17(16)18/h2-9,13,19,22-23H,10-12H2,1H3,(H,25,26)/t19-/m0/s1