629662-38-0
1H-INDOLE-1-CARBOXYLIC ACID, 3-(1-CYANO-1-METHYLETHYL)-6-(PHENYLMETHOXY)-, 1,1-DIMETHYLETHYL ESTER
Name1H-INDOLE-1-CARBOXYLIC ACID, 3-(1-CYANO-1-METHYLETHYL)-6-(PHENYLMETHOXY)-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1H-INDOLE-1-CARBOXYLIC ACID, 3-(1-CYANO-1-METHYLETHYL)-6-(PHENYLMETHOXY)-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD11616217
【English Synonyms】
【Formula】
C24 H26 N2 O3
【MolWeight】
390.48
【Inchi】
InChI=1S/C24H26N2O3/c1-23(2,3)29-22(27)26-14-20(24(4,5)16-25)19-12-11-18(13-21(19)26)28-15-17-9-7-6-8-10-17/h6-14H,15H2,1-5H3
【InChIKey】
InChIKey=AGVUNFICGZABOM-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)n1cc(c2c1cc(cc2)OCc3ccccc3)C(C)(C)C#N
【MOL File】
1H-INDOLE-1-CARBOXYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-INDOLE-1-CARBOXYLIC ACID, 3-(1-CYANO-1-METHYLETHYL)-6-(PHENYLMETHOXY)-, 1,1-DIMETHYLETHYL ESTER.cml