89649-42-3
1H-INDOLE-2-CARBOXYLIC ACID, 4,5,6,7-TETRAHYDRO-3-PHENYL-, ETHYL ESTER
Name1H-INDOLE-2-CARBOXYLIC ACID, 4,5,6,7-TETRAHYDRO-3-PHENYL-, ETHYL ESTER
1Identification
【Name】
1H-INDOLE-2-CARBOXYLIC ACID, 4,5,6,7-TETRAHYDRO-3-PHENYL-, ETHYL ESTER
【CAS】
【MDL】
MFCD13180529
【English Synonyms】
【Formula】
C17 H19 N O2
【MolWeight】
269.342
【Inchi】
InChI=1S/C17H19NO2/c1-2-20-17(19)16-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)18-16/h3-5,8-9,18H,2,6-7,10-11H2,1H3
【InChIKey】
InChIKey=CJRNRLZSZORSGP-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(c2c([nH]1)CCCC2)c3ccccc3
【MOL File】
1H-INDOLE-2-CARBOXYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-INDOLE-2-CARBOXYLIC ACID, 4,5,6,7-TETRAHYDRO-3-PHENYL-, ETHYL ESTER.cml