ethyl 2-(aminomethyl)-4-phenyl-butanoate; 4-methylbenzenesulfonic acid

Systemtic Name: ethyl 2-(aminomethyl)-4-phenyl-butanoate; 4-methylbenzenesulfonic acid Openeye Name: ethyl 2-(aminomethyl)-4-phenyl-butanoate; 4-methylbenzenesulfonic acid CAS Name: 2-(aminomethyl)-4-phenylbutanoic acid ethyl ester; 4-methylbenzenesulfonic acid IUPAC Name: ethyl 2-(aminomethyl)-4-phenylbutanoate; 4-methylbenzenesulfonic acid Traditional Name: 2-(aminomethyl)-4-phenyl-butyric acid ethyl ester; tosylic acid Formula: C20H27NO5S MolecularWeight: 393.49708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)CN.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)CN.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C13H19NO2.C7H8O3S/c1-2-16-13(15)12(10-14)9-8-11-6-4-3-5-7-11;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,12H,2,8-10,14H2,1H3;2-5H,1H3,(H,8,9,10)