[2-methoxy-2,3-bis(4-methoxyphenyl)piperidin-1-yl] butanoate; 4-methylbenzenesulfonic acid

Systemtic Name: [2-methoxy-2,3-bis(4-methoxyphenyl)piperidin-1-yl] butanoate; 4-methylbenzenesulfonic acid Openeye Name: [2-methoxy-2,3-bis(4-methoxyphenyl)-1-piperidyl] butanoate; 4-methylbenzenesulfonic acid CAS Name: butanoic acid [2-methoxy-2,3-bis(4-methoxyphenyl)-1-piperidinyl] ester; 4-methylbenzenesulfonic acid IUPAC Name: [2-methoxy-2,3-bis(4-methoxyphenyl)piperidin-1-yl] butanoate; 4-methylbenzenesulfonic acid Traditional Name: butyric acid [2-methoxy-2,3-bis(4-methoxyphenyl)piperidino] ester; tosylic acid Formula: C31H39NO8S MolecularWeight: 585.70826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)ON1CCCC(C1(C2=CC=C(C=C2)OC)OC)C3=CC=C(C=C3)OC.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCC(=O)ON1CCCC(C1(C2=CC=C(C=C2)OC)OC)C3=CC=C(C=C3)OC.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C24H31NO5.C7H8O3S/c1-5-7-23(26)30-25-17-6-8-22(18-9-13-20(27-2)14-10-18)24(25,29-4)19-11-15-21(28-3)16-12-19;1-6-2-4-7(5-3-6)11(8,9)10/h9-16,22H,5-8,17H2,1-4H3;2-5H,1H3,(H,8,9,10)