676446-52-9
1H-INDOLE-1-CARBOXYLIC ACID, 7-[1-[(1,1-DIMETHYLETHOXY)CARBONYL]-4-PIPERIDINYL]-, 1,1-DIMETHYLETHYL ESTER
Name1H-INDOLE-1-CARBOXYLIC ACID, 7-[1-[(1,1-DIMETHYLETHOXY)CARBONYL]-4-PIPERIDINYL]-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1H-INDOLE-1-CARBOXYLIC ACID, 7-[1-[(1,1-DIMETHYLETHOXY)CARBONYL]-4-PIPERIDINYL]-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD13183458
【English Synonyms】
【Formula】
C23 H32 N2 O4
【MolWeight】
400.516
【Inchi】
InChI=1S/C23H32N2O4/c1-22(2,3)28-20(26)24-13-10-16(11-14-24)18-9-7-8-17-12-15-25(19(17)18)21(27)29-23(4,5)6/h7-9,12,15-16H,10-11,13-14H2,1-6H3
【InChIKey】
InChIKey=QFYODDFZPZLYFP-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)n1ccc2c1c(ccc2)C3CCN(CC3)C(=O)OC(C)(C)C
【MOL File】
1H-INDOLE-1-CARBOXYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-INDOLE-1-CARBOXYLIC ACID, 7-[1-[(1,1-DIMETHYLETHOXY)CARBONYL]-4-PIPERIDINYL]-, 1,1-DIMETHYLETHYL ESTER.cml