694533-03-4
1H-INDOLE-1-CARBOXYLIC ACID, 5-[3-(4-MORPHOLINYL)PROPOXY]-, 1,1-DIMETHYLETHYL ESTER
Name1H-INDOLE-1-CARBOXYLIC ACID, 5-[3-(4-MORPHOLINYL)PROPOXY]-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1H-INDOLE-1-CARBOXYLIC ACID, 5-[3-(4-MORPHOLINYL)PROPOXY]-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD13183415
【English Synonyms】
【Formula】
C20 H28 N2 O4
【MolWeight】
360.451
【Inchi】
InChI=1S/C20H28N2O4/c1-20(2,3)26-19(23)22-9-7-16-15-17(5-6-18(16)22)25-12-4-8-21-10-13-24-14-11-21/h5-7,9,15H,4,8,10-14H2,1-3H3
【InChIKey】
InChIKey=LNVNTUXZMZJQHD-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)n1ccc2c1ccc(c2)OCCCN3CCOCC3
【MOL File】
1H-INDOLE-1-CARBOXYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-INDOLE-1-CARBOXYLIC ACID, 5-[3-(4-MORPHOLINYL)PROPOXY]-, 1,1-DIMETHYLETHYL ESTER.cml