1228095-65-5
2-[1-(2-BENZYL-1-OXO-1,2-DIHYDROISOQUINOLIN-4-YLMETHYL)PIPERIDIN-4-YL]ACETIC ACID METHYL ESTER
Name2-[1-(2-BENZYL-1-OXO-1,2-DIHYDROISOQUINOLIN-4-YLMETHYL)PIPERIDIN-4-YL]ACETIC ACID METHYL ESTER
1Identification
【Name】
2-[1-(2-BENZYL-1-OXO-1,2-DIHYDROISOQUINOLIN-4-YLMETHYL)PIPERIDIN-4-YL]ACETIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD16883052
【English Synonyms】
【Formula】
C25 H28 N2 O3
【MolWeight】
404.507
【Inchi】
InChI=1S/C25H28N2O3/c1-30-24(28)15-19-11-13-26(14-12-19)17-21-18-27(16-20-7-3-2-4-8-20)25(29)23-10-6-5-9-22(21)23/h2-10,18-19H,11-17H2,1H3
【InChIKey】
InChIKey=PCCCFYQYEUOTJN-UHFFFAOYSA-N
【SMILES】
COC(=O)CC1CCN(CC1)Cc2cn(c(=O)c3c2cccc3)Cc4ccccc4
【MOL File】
2-[1-(2-BENZYL-1-OXO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[1-(2-BENZYL-1-OXO-1,2-DIHYDROISOQUINOLIN-4-YLMETHYL)PIPERIDIN-4-YL]ACETIC ACID METHYL ESTER.cml