629662-57-3
1H-INDOLE-1-CARBOXYLIC ACID, 3-(1-CYANO-1-METHYLETHYL)-6-[METHYL(PHENYLMETHYL)AMINO]-, 1,1-DIMETHYLETHYL ESTER
Name1H-INDOLE-1-CARBOXYLIC ACID, 3-(1-CYANO-1-METHYLETHYL)-6-[METHYL(PHENYLMETHYL)AMINO]-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1H-INDOLE-1-CARBOXYLIC ACID, 3-(1-CYANO-1-METHYLETHYL)-6-[METHYL(PHENYLMETHYL)AMINO]-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD11616216
【English Synonyms】
【Formula】
C25 H29 N3 O2
【MolWeight】
403.523
【Inchi】
InChI=1S/C25H29N3O2/c1-24(2,3)30-23(29)28-16-21(25(4,5)17-26)20-13-12-19(14-22(20)28)27(6)15-18-10-8-7-9-11-18/h7-14,16H,15H2,1-6H3
【InChIKey】
InChIKey=QVTKDIXKZMREDD-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)n1cc(c2c1cc(cc2)N(C)Cc3ccccc3)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-[METHYL(PHENYLMETHYL)AMINO]-, 1,1-DIMETHYLETHYL ESTER.cml