593237-06-0
4-[(7-ETHYL-3-FORMYL-1H-INDOL-1-YL)METHYL]-BENZOIC ACID ETHYL ESTER
Name4-[(7-ETHYL-3-FORMYL-1H-INDOL-1-YL)METHYL]-BENZOIC ACID ETHYL ESTER
1Identification
【Name】
4-[(7-ETHYL-3-FORMYL-1H-INDOL-1-YL)METHYL]-BENZOIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD03906485
【English Synonyms】
【Formula】
C21 H21 N O3
【MolWeight】
335.401
【Inchi】
InChI=1S/C21H21NO3/c1-3-16-6-5-7-19-18(14-23)13-22(20(16)19)12-15-8-10-17(11-9-15)21(24)25-4-2/h5-11,13-14H,3-4,12H2,1-2H3
【InChIKey】
InChIKey=PQJVPCYOUMFEER-UHFFFAOYSA-N
【SMILES】
CCc1cccc2c1n(cc2C=O)Cc3ccc(cc3)C(=O)OCC
【MOL File】
4-[(7-ETHYL-3-FORMYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[(7-ETHYL-3-FORMYL-1H-INDOL-1-YL)METHYL]-BENZOIC ACID ETHYL ESTER.cml