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

Systemtic Name: ethyl 4-[4-[(4-chlorophenyl)-phenyl-methoxy]piperidin-1-yl]butanoate; 4-methylbenzenesulfonic acid Openeye Name: ethyl 4-[4-[(4-chlorophenyl)-phenyl-methoxy]-1-piperidyl]butanoate; 4-methylbenzenesulfonic acid CAS Name: 4-[4-[(4-chlorophenyl)-phenylmethoxy]-1-piperidinyl]butanoic acid ethyl ester; 4-methylbenzenesulfonic acid IUPAC Name: ethyl 4-[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]butanoate; 4-methylbenzenesulfonic acid Traditional Name: 4-[4-[(4-chlorophenyl)-phenyl-methoxy]piperidino]butyric acid ethyl ester; tosylic acid Formula: C31H38ClNO6S MolecularWeight: 588.15452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30ClNO3.C7H8O3S/c1-2-28-23(27)9-6-16-26-17-14-22(15-18-26)29-24(19-7-4-3-5-8-19)20-10-12-21(25)13-11-20;1-6-2-4-7(5-3-6)11(8,9)10/h3-5,7-8,10-13,22,24H,2,6,9,14-18H2,1H3;2-5H,1H3,(H,8,9,10)