3-azanyl-5-(4-hydroxyphenyl)-1-phenylmethoxy-pentan-2-one; 4-methylbenzenesulfonic acid

Systemtic Name: 3-azanyl-5-(4-hydroxyphenyl)-1-phenylmethoxy-pentan-2-one; 4-methylbenzenesulfonic acid Openeye Name: 3-amino-1-benzyloxy-5-(4-hydroxyphenyl)pentan-2-one; 4-methylbenzenesulfonic acid CAS Name: 3-amino-5-(4-hydroxyphenyl)-1-phenylmethoxy-2-pentanone; 4-methylbenzenesulfonic acid IUPAC Name: 3-amino-5-(4-hydroxyphenyl)-1-phenylmethoxypentan-2-one; 4-methylbenzenesulfonic acid Traditional Name: 3-amino-1-benzoxy-5-(4-hydroxyphenyl)pentan-2-one; tosylic acid Formula: C25H29NO6S MolecularWeight: 471.56586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COCC(=O)C(CCC2=CC=C(C=C2)O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COCC(=O)C(CCC2=CC=C(C=C2)O)N

InChI

InChI=1S/C18H21NO3.C7H8O3S/c19-17(11-8-14-6-9-16(20)10-7-14)18(21)13-22-12-15-4-2-1-3-5-15;1-6-2-4-7(5-3-6)11(8,9)10/h1-7,9-10,17,20H,8,11-13,19H2;2-5H,1H3,(H,8,9,10)