methyl 4-(2-aminophenyl)butanoate; 4-methylbenzenesulfonic acid

Systemtic Name: methyl 4-(2-aminophenyl)butanoate; 4-methylbenzenesulfonic acid Openeye Name: methyl 4-(2-aminophenyl)butanoate; 4-methylbenzenesulfonic acid CAS Name: 4-(2-aminophenyl)butanoic acid methyl ester; 4-methylbenzenesulfonic acid IUPAC Name: methyl 4-(2-aminophenyl)butanoate; 4-methylbenzenesulfonic acid Traditional Name: 4-(2-aminophenyl)butyric 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)CCCC1=CC=CC=C1N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.COC(=O)CCCC1=CC=CC=C1N

InChI

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