885956-78-5
ETHYL 2-BENZYL-5-METHYLOCTAHYDRO-1H-PYRROLO[3,4-C]PYRIDINE-7A-CARBOXYLATE
NameETHYL 2-BENZYL-5-METHYLOCTAHYDRO-1H-PYRROLO[3,4-C]PYRIDINE-7A-CARBOXYLATE
1Identification
【Name】
ETHYL 2-BENZYL-5-METHYLOCTAHYDRO-1H-PYRROLO[3,4-C]PYRIDINE-7A-CARBOXYLATE
【CAS】
【MDL】
MFCD13195114
【English Synonyms】
【Formula】
C18 H26 N2 O2
【MolWeight】
302.415
【Inchi】
InChI=1S/C18H26N2O2/c1-3-22-17(21)18-12-19-14(2)9-16(18)11-20(13-18)10-15-7-5-4-6-8-15/h4-8,14,16,19H,3,9-13H2,1-2H3
【InChIKey】
InChIKey=FMYJASPVDVFQMO-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C12CNC(CC1CN(C2)Cc3ccccc3)C
【MOL File】
ETHYL 2-BENZYL-5-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 2-BENZYL-5-METHYLOCTAHYDRO-1H-PYRROLO[3,4-C]PYRIDINE-7A-CARBOXYLATE.cml