769154-16-7
4-(2-(4-BUTOXYBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-PHENYLACRYLATE
Name4-(2-(4-BUTOXYBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-PHENYLACRYLATE
1Identification
【Name】
4-(2-(4-BUTOXYBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-PHENYLACRYLATE
【CAS】
【MDL】
MFCD05153348
【English Synonyms】
【Formula】
C28 H28 N2 O5
【MolWeight】
472.538
【Inchi】
InChI=1S/C28H28N2O5/c1-3-4-18-34-24-14-12-23(13-15-24)28(32)30-29-20-22-10-16-25(26(19-22)33-2)35-27(31)17-11-21-8-6-5-7-9-21/h5-17,19-20H,3-4,18H2,1-2H3,(H,30,32)/b17-11+,29-20+
【InChIKey】
InChIKey=CZZPCQBVQRELBG-OJVLKWHLSA-N
【SMILES】
CCCCOc1ccc(cc1)C(=O)N/N=C/c2ccc(c(c2)OC)OC(=O)/C=C/c3ccccc3
【MOL File】
4-(2-(4-BUTOXYBENZOY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(4-BUTOXYBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-PHENYLACRYLATE.cml