(3S)-4-oxidanylidene-3-[(phenylmethyl)azaniumyl]-4-propan-2-yloxy-butanoate

Systemtic Name: (3S)-4-oxidanylidene-3-[(phenylmethyl)azaniumyl]-4-propan-2-yloxy-butanoate Openeye Name: (3S)-3-(benzylammonio)-4-isopropoxy-4-oxo-butanoate CAS Name: (3S)-4-oxo-3-[(phenylmethyl)ammonio]-4-propan-2-yloxybutanoate IUPAC Name: (3S)-3-(benzylazaniumyl)-4-oxo-4-propan-2-yloxybutanoate Traditional Name: (3S)-3-(benzylammonio)-4-isopropoxy-4-keto-butyrate Formula: C14H19NO4 MolecularWeight: 265.30496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CC(=O)[O-])[NH2+]CC1=CC=CC=C1

Isomeric SMILES

CC(C)OC(=O)[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1

InChI

InChI=1S/C14H19NO4/c1-10(2)19-14(18)12(8-13(16)17)15-9-11-6-4-3-5-7-11/h3-7,10,12,15H,8-9H2,1-2H3,(H,16,17)/t12-/m0/s1