ethyl 4-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]piperidin-1-yl]butanoate; 4-methylbenzenesulfonic acid

Systemtic Name: ethyl 4-[4-[(4-chlorophenyl)-pyridin-2-yl-methoxy]piperidin-1-yl]butanoate; 4-methylbenzenesulfonic acid Openeye Name: ethyl 4-[4-[(4-chlorophenyl)-(2-pyridyl)methoxy]-1-piperidyl]butanoate; 4-methylbenzenesulfonic acid CAS Name: 4-[4-[(4-chlorophenyl)-(2-pyridinyl)methoxy]-1-piperidinyl]butanoic acid ethyl ester; 4-methylbenzenesulfonic acid IUPAC Name: ethyl 4-[4-[(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]butanoate; 4-methylbenzenesulfonic acid Traditional Name: 4-[4-[(4-chlorophenyl)-(2-pyridyl)methoxy]piperidino]butyric acid ethyl ester; tosylic acid Formula: C30H37ClN2O6S MolecularWeight: 589.14258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1CCC(CC1)OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)CCCN1CCC(CC1)OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C23H29ClN2O3.C7H8O3S/c1-2-28-22(27)7-5-15-26-16-12-20(13-17-26)29-23(21-6-3-4-14-25-21)18-8-10-19(24)11-9-18;1-6-2-4-7(5-3-6)11(8,9)10/h3-4,6,8-11,14,20,23H,2,5,7,12-13,15-17H2,1H3;2-5H,1H3,(H,8,9,10)