767314-10-3
4-(2-((1-NAPHTHYLAMINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-BUTOXYBENZOATE
Name4-(2-((1-NAPHTHYLAMINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-BUTOXYBENZOATE
1Identification
【Name】
4-(2-((1-NAPHTHYLAMINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-BUTOXYBENZOATE
【CAS】
【MDL】
MFCD05720776
【English Synonyms】
【Formula】
C30 H27 N3 O5
【MolWeight】
509.559
【Inchi】
InChI=1S/C30H27N3O5/c1-2-3-19-37-24-17-13-23(14-18-24)30(36)38-25-15-11-21(12-16-25)20-31-33-29(35)28(34)32-27-10-6-8-22-7-4-5-9-26(22)27/h4-18,20H,2-3,19H2,1H3,(H,32,34)(H,33,35)/b31-20+
【InChIKey】
InChIKey=CVGHEUMHGZYEMX-AJBULDERSA-N
【SMILES】
CCCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)/C=N/NC(=O)C(=O)Nc3cccc4c3cccc4
【MOL File】
4-(2-((1-NAPHTHYLAMI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-((1-NAPHTHYLAMINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-BUTOXYBENZOATE.cml