1008389-50-1
8-((2-(METHOXYCARBONYL)PHENOXY)CARBONYL)-3A,4,5,9B-TETRAHYDRO-3H-CYCLOPENTA[C]QUINOLINE-4-CARBOXYLIC ACID
Name8-((2-(METHOXYCARBONYL)PHENOXY)CARBONYL)-3A,4,5,9B-TETRAHYDRO-3H-CYCLOPENTA[C]QUINOLINE-4-CARBOXYLIC ACID
1Identification
【Name】
8-((2-(METHOXYCARBONYL)PHENOXY)CARBONYL)-3A,4,5,9B-TETRAHYDRO-3H-CYCLOPENTA[C]QUINOLINE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD03677045
【English Synonyms】
【Formula】
C22 H19 N O6
【MolWeight】
393.393
【Inchi】
InChI=1S/C22H19NO6/c1-28-22(27)15-5-2-3-8-18(15)29-21(26)12-9-10-17-16(11-12)13-6-4-7-14(13)19(23-17)20(24)25/h2-6,8-11,13-14,19,23H,7H2,1H3,(H,24,25)
【InChIKey】
InChIKey=RYNSFZVUENDLBC-UHFFFAOYSA-N
【SMILES】
COC(=O)c1ccccc1OC(=O)c2ccc3c(c2)C4C=CCC4C(N3)C(=O)O
【MOL File】
8-((2-(METHOXYCARBON….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-((2-(METHOXYCARBONYL)PHENOXY)CARBONYL)-3A,4,5,9B-TETRAHYDRO-3H-CYCLOPENTA[C]QUINOLINE-4-CARBOXYLIC ACID.cml