methyl (2R)-2-(aminomethyl)-3-phenyl-propanoate; 4-methylbenzenesulfonic acid

Systemtic Name: methyl (2R)-2-(aminomethyl)-3-phenyl-propanoate; 4-methylbenzenesulfonic acid Openeye Name: methyl (2R)-2-(aminomethyl)-3-phenyl-propanoate; 4-methylbenzenesulfonic acid CAS Name: (2R)-2-(aminomethyl)-3-phenylpropanoic acid methyl ester; 4-methylbenzenesulfonic acid IUPAC Name: methyl (2R)-2-(aminomethyl)-3-phenylpropanoate; 4-methylbenzenesulfonic acid Traditional Name: (2R)-2-(aminomethyl)-3-phenyl-propionic acid methyl ester; tosylic acid Formula: C18H23NO5S MolecularWeight: 365.44392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.COC(=O)C(CC1=CC=CC=C1)CN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.COC(=O)[C@H](CC1=CC=CC=C1)CN

InChI

InChI=1S/C11H15NO2.C7H8O3S/c1-14-11(13)10(8-12)7-9-5-3-2-4-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,10H,7-8,12H2,1H3;2-5H,1H3,(H,8,9,10)/t10-;/m1./s1