(2R)-4-[(2-ethyl-6-methyl-phenyl)amino]-4-oxidanylidene-2-(phenethylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(2-ethyl-6-methyl-phenyl)amino]-4-oxidanylidene-2-(phenethylazaniumyl)butanoate Openeye Name: (2R)-4-(2-ethyl-6-methyl-anilino)-4-oxo-2-(phenethylammonio)butanoate CAS Name: (2R)-4-(2-ethyl-6-methylanilino)-4-oxo-2-(phenethylammonio)butanoate IUPAC Name: (2R)-4-(2-ethyl-6-methylanilino)-4-oxo-2-(phenethylazaniumyl)butanoate Traditional Name: (2R)-4-(2-ethyl-6-methyl-anilino)-4-keto-2-(phenethylammonio)butyrate Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CC(C(=O)[O-])[NH2+]CCC2=CC=CC=C2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[C@H](C(=O)[O-])[NH2+]CCC2=CC=CC=C2)C

InChI

InChI=1S/C21H26N2O3/c1-3-17-11-7-8-15(2)20(17)23-19(24)14-18(21(25)26)22-13-12-16-9-5-4-6-10-16/h4-11,18,22H,3,12-14H2,1-2H3,(H,23,24)(H,25,26)/t18-/m1/s1