887432-93-1
2-(TERT-BUTYLCARBONYL)-1,2,3,4-TETRAHYDROBENZO[B][1,6]NAPHTHYRIDINE-10-CARBOXYLIC ACID
Name2-(TERT-BUTYLCARBONYL)-1,2,3,4-TETRAHYDROBENZO[B][1,6]NAPHTHYRIDINE-10-CARBOXYLIC ACID
1Identification
【Name】
2-(TERT-BUTYLCARBONYL)-1,2,3,4-TETRAHYDROBENZO[B][1,6]NAPHTHYRIDINE-10-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD03645391
【English Synonyms】
【Formula】
C18 H20 N2 O3
【MolWeight】
312.367
【Inchi】
InChI=1S/C18H20N2O3/c1-18(2,3)17(23)20-9-8-14-12(10-20)15(16(21)22)11-6-4-5-7-13(11)19-14/h4-7H,8-10H2,1-3H3,(H,21,22)
【InChIKey】
InChIKey=VEXKRODUEWHSIM-UHFFFAOYSA-N
【SMILES】
CC(C)(C)C(=O)N1CCc2c(c(c3ccccc3n2)C(=O)O)C1
【MOL File】
2-(TERT-BUTYLCARBONY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-(TERT-BUTYLCARBONYL)-1,2,3,4-TETRAHYDROBENZO[B][1,6]NAPHTHYRIDINE-10-CARBOXYLIC ACID.cml