753498-24-7
(R)-N-(2-(8-(benzyloxy)-2-oxo-1,2-dihydroquinolin-5-yl)-2-hydroxyethyl)-5,6-diethyl-2,3-dihydro-1H-inden-2-aminium benzoate
Name(R)-N-(2-(8-(benzyloxy)-2-oxo-1,2-dihydroquinolin-5-yl)-2-hydroxyethyl)-5,6-diethyl-2,3-dihydro-1H-inden-2-aminium benzoate
1Identification
【Name】
(R)-N-(2-(8-(benzyloxy)-2-oxo-1,2-dihydroquinolin-5-yl)-2-hydroxyethyl)-5,6-diethyl-2,3-dihydro-1H-inden-2-aminium benzoate
【CAS】
【MDL】
【English Synonyms】
【Formula】
C38H40N2O5
【MolWeight】
604.7346
【Inchi】
InChI=1S/C31H34N2O3.C7H6O2/c1-3-21-14-23-16-25(17-24(23)15-22(21)4-2)32-18-28(34)26-10-12-29(31-27(26)11-13-30(35)33-31)36-19-20-8-6-5-7-9-20;8-7(9)6-4-2-1-3-5-6/h5-15,25,28,32,34H,3-4,16-19H2,1-2H3,(H,33,35);1-5H,(H,8,9)/t28-;/m0./s1
【InChIKey】
InChIKey=TYSXKGXLGFELNN-JCOPYZAKSA-N
【SMILES】
C(C1=CC=CC=C1)(=O)[O-].C(C1=CC=CC=C1)OC=1C=CC(=C2C=CC(NC12)=O)[C@H](C[NH2+]C1CC2=CC(=C(C=C2C1)CC)CC)O
【MOL File】
(R)-N-(2-(8-(benzylo….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
(R)-N-(2-(8-(benzyloxy)-2-oxo-1,2-dihydroquinolin-5-yl)-2-hydroxyethyl)-5,6-diethyl-2,3-dihydro-1H-inden-2-aminium benzoate.cml