T0R

Summary

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-{4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethan-1-amine
OpenEye OEToolkits	2.0.4	2-[4-[(~{Z})-4-chloranyl-1,2-diphenyl-but-1-enyl]phenoxy]-~{N},~{N}-dimethyl-ethanamine

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3cc(C(=C(/CCCl)c1ccccc1)/c2ccccc2)ccc3OCCN(C)C
InChI	InChI	1.03	InChI=1S/C26H28ClNO/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21/h3-16H,17-20H2,1-2H3/b26-25-
InChIKey	InChI	1.03	XFCLJVABOIYOMF-QPLCGJKRSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(C)CCOc1ccc(cc1)C(=C(/CCCl)c2ccccc2)/c3ccccc3
SMILES	CACTVS	3.385	CN(C)CCOc1ccc(cc1)C(=C(CCCl)c2ccccc2)c3ccccc3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.4	CN(C)CCOc1ccc(cc1)/C(=C(/CCCl)\c2ccccc2)/c3ccccc3
SMILES	OpenEye OEToolkits	2.0.4	CN(C)CCOc1ccc(cc1)C(=C(CCCl)c2ccccc2)c3ccccc3