ethyl 4-[4-[bis(4-methoxyphenyl)methoxy]piperidin-1-yl]butanoate; 4-methylbenzenesulfonic acid

Systemtic Name: ethyl 4-[4-[bis(4-methoxyphenyl)methoxy]piperidin-1-yl]butanoate; 4-methylbenzenesulfonic acid Openeye Name: ethyl 4-[4-[bis(4-methoxyphenyl)methoxy]-1-piperidyl]butanoate; 4-methylbenzenesulfonic acid CAS Name: 4-[4-[bis(4-methoxyphenyl)methoxy]-1-piperidinyl]butanoic acid ethyl ester; 4-methylbenzenesulfonic acid IUPAC Name: ethyl 4-[4-[bis(4-methoxyphenyl)methoxy]piperidin-1-yl]butanoate; 4-methylbenzenesulfonic acid Traditional Name: 4-[4-[bis(4-methoxyphenyl)methoxy]piperidino]butyric acid ethyl ester; tosylic acid Formula: C33H43NO8S MolecularWeight: 613.76142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35NO5.C7H8O3S/c1-4-31-25(28)6-5-17-27-18-15-24(16-19-27)32-26(20-7-11-22(29-2)12-8-20)21-9-13-23(30-3)14-10-21;1-6-2-4-7(5-3-6)11(8,9)10/h7-14,24,26H,4-6,15-19H2,1-3H3;2-5H,1H3,(H,8,9,10)