897669-44-2
4-(PHENYLMETHYL)-1,4-PIPERIDINEDICARBOXYLIC ACID 1-(1,1-DIMETHYLETHYL) 4-(PHENYLMETHYL) ESTER
Name4-(PHENYLMETHYL)-1,4-PIPERIDINEDICARBOXYLIC ACID 1-(1,1-DIMETHYLETHYL) 4-(PHENYLMETHYL) ESTER
1Identification
【Name】
4-(PHENYLMETHYL)-1,4-PIPERIDINEDICARBOXYLIC ACID 1-(1,1-DIMETHYLETHYL) 4-(PHENYLMETHYL) ESTER
【CAS】
【MDL】
MFCD17169841
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C25 H31 N O4
【pro_molWeight】
409.523
【Inchi】
InChI=1S/C25H31NO4/c1-24(2,3)30-23(28)26-16-14-25(15-17-26,18-20-10-6-4-7-11-20)22(27)29-19-21-12-8-5-9-13-21/h4-13H,14-19H2,1-3H3
【InChIKey】
InChIKey=XUVXAOHLQNEZNI-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCC(CC1)(Cc2ccccc2)C(=O)OCc3ccccc3
【MOL File】
4-(PHENYLMETHYL)-1,4….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:5
XLogP3:6.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-(PHENYLMETHYL)-1,4-PIPERIDINEDICARBOXYLIC ACID 1-(1,1-DIMETHYLETHYL) 4-(PHENYLMETHYL) ESTER.cml