(2R)-4-(ethyl-methoxy-methyl-azaniumyl)-4-oxidanylidene-2-(phenylmethyl)butanoate; 2-methoxyethanolate

Systemtic Name: (2R)-4-(ethyl-methoxy-methyl-azaniumyl)-4-oxidanylidene-2-(phenylmethyl)butanoate; 2-methoxyethanolate Openeye Name: (2R)-2-benzyl-4-(ethyl-methoxy-methyl-ammonio)-4-oxo-butanoate; 2-methoxyethanolate CAS Name: (2R)-4-(ethyl-methoxy-methylammonio)-4-oxo-2-(phenylmethyl)butanoate; 2-methoxyethanolate IUPAC Name: (2R)-2-benzyl-4-(ethyl-methoxy-methylazaniumyl)-4-oxobutanoate; 2-methoxyethanolate Traditional Name: (2R)-2-benzyl-4-(ethyl-methoxy-methyl-ammonio)-4-keto-butyrate; 2-methoxyethanolate Formula: C18H28NO6- MolecularWeight: 354.41802

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(C(=O)CC(CC1=CC=CC=C1)C(=O)[O-])OC.COCC[O-]

Isomeric SMILES

CC[N+](C)(C(=O)C[C@@H](CC1=CC=CC=C1)C(=O)[O-])OC.COCC[O-]

InChI

InChI=1S/C15H21NO4.C3H7O2/c1-4-16(2,20-3)14(17)11-13(15(18)19)10-12-8-6-5-7-9-12;1-5-3-2-4/h5-9,13H,4,10-11H2,1-3H3;2-3H2,1H3/q;-1/t13-,16?;/m1./s1