[(2S,3S)-3-azanyl-4-methoxy-4-oxidanylidene-butan-2-yl] 4-phenylbenzoate hydrochloride

Systemtic Name: [(2S,3S)-3-azanyl-4-methoxy-4-oxidanylidene-butan-2-yl] 4-phenylbenzoate hydrochloride Openeye Name: [(1S,2S)-2-amino-3-methoxy-1-methyl-3-oxo-propyl] 4-phenylbenzoate hydrochloride CAS Name: 4-phenylbenzoic acid [(2S,3S)-3-amino-4-methoxy-4-oxobutan-2-yl] ester hydrochloride IUPAC Name: [(2S,3S)-3-amino-4-methoxy-4-oxobutan-2-yl] 4-phenylbenzoate hydrochloride Traditional Name: 4-phenylbenzoic acid [(1S,2S)-2-amino-3-keto-3-methoxy-1-methyl-propyl] ester hydrochloride Formula: C18H20ClNO4 MolecularWeight: 349.8087

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OC)N)OC(=O)C1=CC=C(C=C1)C2=CC=CC=C2.Cl

Isomeric SMILES

C[C@@H]([C@@H](C(=O)OC)N)OC(=O)C1=CC=C(C=C1)C2=CC=CC=C2.Cl

InChI

InChI=1S/C18H19NO4.ClH/c1-12(16(19)18(21)22-2)23-17(20)15-10-8-14(9-11-15)13-6-4-3-5-7-13;/h3-12,16H,19H2,1-2H3;1H/t12-,16-;/m0./s1