(2R)-4-[(2,6-diethylphenyl)amino]-2-(2-methoxyethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(2,6-diethylphenyl)amino]-2-(2-methoxyethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2,6-diethylanilino)-2-(2-methoxyethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(2,6-diethylanilino)-2-(2-methoxyethylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(2,6-diethylanilino)-2-(2-methoxyethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(2,6-diethylanilino)-4-keto-2-(2-methoxyethylammonio)butyrate Formula: C17H26N2O4 MolecularWeight: 322.39934

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CC(C(=O)[O-])[NH2+]CCOC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCOC

InChI

InChI=1S/C17H26N2O4/c1-4-12-7-6-8-13(5-2)16(12)19-15(20)11-14(17(21)22)18-9-10-23-3/h6-8,14,18H,4-5,9-11H2,1-3H3,(H,19,20)(H,21,22)/t14-/m1/s1