84133-32-4
METHYL 1-(3-PYRIDINYL)-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-3-CARBOXYLATE
NameMETHYL 1-(3-PYRIDINYL)-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-3-CARBOXYLATE
1Identification
【Name】
METHYL 1-(3-PYRIDINYL)-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD01549361
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H17 N3 O2
【pro_molWeight】
307.351
【Inchi】
InChI=1S/C18H17N3O2/c1-23-18(22)15-9-13-12-6-2-3-7-14(12)20-17(13)16(21-15)11-5-4-8-19-10-11/h2-8,10,15-16,20-21H,9H2,1H3
【InChIKey】
InChIKey=VOMJKYKNVFYOMS-UHFFFAOYSA-N
【SMILES】
COC(=O)C1Cc2c3ccccc3[nH]c2C(N1)c4cccnc4
【MOL File】
METHYL 1-(3-PYRIDINY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:5
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
METHYL 1-(3-PYRIDINYL)-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-3-CARBOXYLATE.cml