59513-85-8
1-BENZYL-5-METHOXY-2-METHYL-INDOLE-3-CARBOXYLIC ACID ETHYL ESTER
Name1-BENZYL-5-METHOXY-2-METHYL-INDOLE-3-CARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
1-BENZYL-5-METHOXY-2-METHYL-INDOLE-3-CARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD00385953
【English Synonyms】
【Formula】
C20 H21 N O3
【MolWeight】
323.39
【Inchi】
InChI=1S/C20H21NO3/c1-4-24-20(22)19-14(2)21(13-15-8-6-5-7-9-15)18-11-10-16(23-3)12-17(18)19/h5-12H,4,13H2,1-3H3
【InChIKey】
InChIKey=GQVMIPAWWCUWLD-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(n(c2c1cc(cc2)OC)Cc3ccccc3)C
【MOL File】
1-BENZYL-5-METHOXY-2….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
1-BENZYL-5-METHOXY-2-METHYL-INDOLE-3-CARBOXYLIC ACID ETHYL ESTER.cml