873537-09-8
1H-INDOLE-1-CARBOXYLIC ACID, 5-(ACETYLAMINO)-2,3-DIHYDRO-, 1,1-DIMETHYLETHYL ESTER
Name1H-INDOLE-1-CARBOXYLIC ACID, 5-(ACETYLAMINO)-2,3-DIHYDRO-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1H-INDOLE-1-CARBOXYLIC ACID, 5-(ACETYLAMINO)-2,3-DIHYDRO-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD13183523
【English Synonyms】
【Formula】
C15 H20 N2 O3
【MolWeight】
276.334
【Inchi】
InChI=1S/C15H20N2O3/c1-10(18)16-12-5-6-13-11(9-12)7-8-17(13)14(19)20-15(2,3)4/h5-6,9H,7-8H2,1-4H3,(H,16,18)
【InChIKey】
InChIKey=YTWBEAQCQIIXTH-UHFFFAOYSA-N
【SMILES】
CC(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C
【MOL File】
1H-INDOLE-1-CARBOXYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-INDOLE-1-CARBOXYLIC ACID, 5-(ACETYLAMINO)-2,3-DIHYDRO-, 1,1-DIMETHYLETHYL ESTER.cml