[(4Z)-7,10-bis(1-ethoxyethoxy)-2-[(2E,4E)-7-[3-[3-(1-ethoxyethoxy)-2-methyl-pentan-2-yl]oxiran-2-yl]-6-methyl-hepta-2,4-dien-2-yl]-7-methyl-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] 2-morpholin-4-ylethanoate

Systemtic Name: [(4Z)-7,10-bis(1-ethoxyethoxy)-2-[(2E,4E)-7-[3-[3-(1-ethoxyethoxy)-2-methyl-pentan-2-yl]oxiran-2-yl]-6-methyl-hepta-2,4-dien-2-yl]-7-methyl-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] 2-morpholin-4-ylethanoate Openeye Name: [(4Z)-7,10-bis(1-ethoxyethoxy)-2-[(1E,3E)-6-[3-[2-(1-ethoxyethoxy)-1,1-dimethyl-butyl]oxiran-2-yl]-1,5-dimethyl-hexa-1,3-dienyl]-7-methyl-12-oxo-1-oxacyclododec-4-en-6-yl] 2-morpholinoacetate CAS Name: 2-(4-morpholinyl)acetic acid [(4Z)-7,10-bis(1-ethoxyethoxy)-2-[(2E,4E)-7-[3-[3-(1-ethoxyethoxy)-2-methylpentan-2-yl]-2-oxiranyl]-6-methylhepta-2,4-dien-2-yl]-7-methyl-12-oxo-1-oxacyclododec-4-en-6-yl] ester IUPAC Name: [(4Z)-7,10-bis(1-ethoxyethoxy)-2-[(2E,4E)-7-[3-[3-(1-ethoxyethoxy)-2-methylpentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-7-methyl-12-oxo-1-oxacyclododec-4-en-6-yl] 2-morpholin-4-ylacetate Traditional Name: 2-morpholinoacetic acid [(4Z)-7,10-bis(1-ethoxyethoxy)-2-[(1E,3E)-6-[3-[2-(1-ethoxyethoxy)-1,1-dimethyl-butyl]oxiran-2-yl]-1,5-dimethyl-hexa-1,3-dienyl]-12-keto-7-methyl-1-oxacyclododec-4-en-6-yl] ester Formula: C46H79NO12 MolecularWeight: 838.11896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)(C)C1C(O1)CC(C)C=CC=C(C)C2CC=CC(C(CCC(CC(=O)O2)OC(C)OCC)(C)OC(C)OCC)OC(=O)CN3CCOCC3)OC(C)OCC

Isomeric SMILES

CCC(C(C)(C)C1C(O1)CC(C)/C=C/C=C(\C)/C2C/C=C\C(C(CCC(CC(=O)O2)OC(C)OCC)(C)OC(C)OCC)OC(=O)CN3CCOCC3)OC(C)OCC

InChI

InChI=1S/C46H79NO12/c1-13-40(55-35(8)52-15-3)45(10,11)44-39(57-44)29-32(5)19-17-20-33(6)38-21-18-22-41(58-43(49)31-47-25-27-50-28-26-47)46(12,59-36(9)53-16-4)24-23-37(30-42(48)56-38)54-34(7)51-14-2/h17-20,22,32,34-41,44H,13-16,21,23-31H2,1-12H3/b19-17+,22-18-,33-20+