769150-24-5
4-(2-((4-BUTOXYPHENOXY)ACETYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-METHOXYBENZOATE
Name4-(2-((4-BUTOXYPHENOXY)ACETYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-METHOXYBENZOATE
1Identification
【Name】
4-(2-((4-BUTOXYPHENOXY)ACETYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153981
【English Synonyms】
【Formula】
C29 H32 N2 O7
【MolWeight】
520.579
【Inchi】
InChI=1S/C29H32N2O7/c1-4-6-17-36-24-12-14-25(15-13-24)37-20-28(32)31-30-19-21-7-16-26(27(18-21)35-5-2)38-29(33)22-8-10-23(34-3)11-9-22/h7-16,18-19H,4-6,17,20H2,1-3H3,(H,31,32)/b30-19+
【InChIKey】
InChIKey=NOHDIBNMFNLOAX-NDZAJKAJSA-N
【SMILES】
CCCCOc1ccc(cc1)OCC(=O)N/N=C/c2ccc(c(c2)OCC)OC(=O)c3ccc(cc3)OC
【MOL File】
4-(2-((4-BUTOXYPHENO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-((4-BUTOXYPHENOXY)ACETYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-METHOXYBENZOATE.cml