propan-2-yl (2R,3S)-3-(2-chloranylethanoylamino)-2-oxidanyl-3-phenyl-propanoate

Systemtic Name: propan-2-yl (2R,3S)-3-(2-chloranylethanoylamino)-2-oxidanyl-3-phenyl-propanoate Openeye Name: isopropyl (2R,3S)-3-[(2-chloroacetyl)amino]-2-hydroxy-3-phenyl-propanoate CAS Name: (2R,3S)-3-[(2-chloro-1-oxoethyl)amino]-2-hydroxy-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (2R,3S)-3-[(2-chloroacetyl)amino]-2-hydroxy-3-phenylpropanoate Traditional Name: (2R,3S)-3-[(2-chloroacetyl)amino]-2-hydroxy-3-phenyl-propionic acid isopropyl ester Formula: C14H18ClNO4 MolecularWeight: 299.75002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(C(C1=CC=CC=C1)NC(=O)CCl)O

Isomeric SMILES

CC(C)OC(=O)[C@@H]([C@H](C1=CC=CC=C1)NC(=O)CCl)O

InChI

InChI=1S/C14H18ClNO4/c1-9(2)20-14(19)13(18)12(16-11(17)8-15)10-6-4-3-5-7-10/h3-7,9,12-13,18H,8H2,1-2H3,(H,16,17)/t12-,13+/m0/s1