Oprea1_123173
4-(5-ethoxycarbonyl-4-methyl-3,11-dioxa-9-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaen-9-yl)butanoic acid
Also Known As: Oprea1_123173|Oprea1_141583|SR-01000088734-1|4-[5-(ethoxycarbonyl)-6-methyl-2H-furo[3',2':3,4]naphtho[2,1-e][1,3]oxazin-3(4H)-yl]butanoic acid|4-(5-ethoxycarbonyl-4-methyl-3,11-dioxa-9-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaen-9-yl)butanoic acid|4-[3-(ethoxycarbonyl)-2-methyl-4H,6H-1,3-oxazino[5',6'-4,3]naphtho[1,2-b]furan -5-yl]butanoic acid
| Molecular Formula | C22H23NO6 |
|---|---|
| Molecular Weight | 397.15253 g/mol |
| LogP | 4.08782 |
| Topological Polar Surface Area | 89.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.15253 |
| Monoisotopic Mass | 397.15253 |
| Heavy Atoms | 29 |
| Complexity | 1099.8099 |
Chemical Identifiers
| CAS Number | 438486-03-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C3=C(C4=CC=CC=C42)OCN(C3)CCCC(=O)O)C |
Product Overview
Oprea1_123173 (CAS 438486-03-4), with molecular formula C22H23NO6 and molecular weight 397.15253 g/mol. IUPAC: 4-(5-ethoxycarbonyl-4-methyl-3,11-dioxa-9-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaen-9-yl)butanoic acid.
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