3-acetamido-3-phenyl-propanoate; [(1S,2R)-2-oxidanyl-1,2-diphenyl-ethyl]azanium

Systemtic Name: 3-acetamido-3-phenyl-propanoate; [(1S,2R)-2-oxidanyl-1,2-diphenyl-ethyl]azanium Openeye Name: 3-acetamido-3-phenyl-propanoate; [(1S,2R)-2-hydroxy-1,2-diphenyl-ethyl]ammonium CAS Name: 3-acetamido-3-phenylpropanoate; [(1S,2R)-2-hydroxy-1,2-diphenylethyl]ammonium IUPAC Name: 3-acetamido-3-phenylpropanoate; [(1S,2R)-2-hydroxy-1,2-diphenylethyl]azanium Traditional Name: 3-acetamido-3-phenyl-propionate; [(1S,2R)-2-hydroxy-1,2-diphenyl-ethyl]ammonium Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)[O-])C1=CC=CC=C1.C1=CC=C(C=C1)C(C(C2=CC=CC=C2)O)[NH3+]

Isomeric SMILES

CC(=O)NC(CC(=O)[O-])C1=CC=CC=C1.C1=CC=C(C=C1)[C@@H]([C@@H](C2=CC=CC=C2)O)[NH3+]

InChI

InChI=1S/C14H15NO.C11H13NO3/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-8(13)12-10(7-11(14)15)9-5-3-2-4-6-9/h1-10,13-14,16H,15H2;2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t13-,14+;/m0./s1