methyl (E)-7-[methoxycarbonyl-(5-methyl-5-oxidanyl-hexa-1,3-diynyl)amino]-3-methyl-hept-2-en-4-ynoate

Systemtic Name: methyl (E)-7-[methoxycarbonyl-(5-methyl-5-oxidanyl-hexa-1,3-diynyl)amino]-3-methyl-hept-2-en-4-ynoate Openeye Name: methyl (E)-7-[(5-hydroxy-5-methyl-hexa-1,3-diynyl)-methoxycarbonyl-amino]-3-methyl-hept-2-en-4-ynoate CAS Name: (E)-7-[(5-hydroxy-5-methylhexa-1,3-diynyl)-methoxycarbonylamino]-3-methylhept-2-en-4-ynoic acid methyl ester IUPAC Name: methyl (E)-7-[(5-hydroxy-5-methylhexa-1,3-diynyl)-methoxycarbonylamino]-3-methylhept-2-en-4-ynoate Traditional Name: (E)-7-[carbomethoxy-(5-hydroxy-5-methyl-hexa-1,3-diynyl)amino]-3-methyl-hept-2-en-4-ynoic acid methyl ester Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC)C#CCCN(C#CC#CC(C)(C)O)C(=O)OC

Isomeric SMILES

C/C(=C\C(=O)OC)/C#CCCN(C#CC#CC(C)(C)O)C(=O)OC

InChI

InChI=1S/C18H21NO5/c1-15(14-16(20)23-4)10-6-8-12-19(17(21)24-5)13-9-7-11-18(2,3)22/h14,22H,8,12H2,1-5H3/b15-14+