2-hydroxyethyl 7-[2-[4-(5,5-dimethyl-1-oxidanyl-hexyl)phenyl]-2-ethanoyl-hydrazinyl]hept-6-ynoate

Systemtic Name: 2-hydroxyethyl 7-[2-[4-(5,5-dimethyl-1-oxidanyl-hexyl)phenyl]-2-ethanoyl-hydrazinyl]hept-6-ynoate Openeye Name: 2-hydroxyethyl 7-[2-acetyl-2-[4-(1-hydroxy-5,5-dimethyl-hexyl)phenyl]hydrazino]hept-6-ynoate CAS Name: 7-[2-acetyl-2-[4-(1-hydroxy-5,5-dimethylhexyl)phenyl]hydrazinyl]-6-heptynoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 7-[2-acetyl-2-[4-(1-hydroxy-5,5-dimethylhexyl)phenyl]hydrazinyl]hept-6-ynoate Traditional Name: 7-[N'-acetyl-N'-[4-(1-hydroxy-5,5-dimethyl-hexyl)phenyl]hydrazino]hept-6-ynoic acid 2-hydroxyethyl ester Formula: C25H38N2O5 MolecularWeight: 446.57962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=C(C=C1)C(CCCC(C)(C)C)O)NC#CCCCCC(=O)OCCO

Isomeric SMILES

CC(=O)N(C1=CC=C(C=C1)C(CCCC(C)(C)C)O)NC#CCCCCC(=O)OCCO

InChI

InChI=1S/C25H38N2O5/c1-20(29)27(26-17-8-6-5-7-11-24(31)32-19-18-28)22-14-12-21(13-15-22)23(30)10-9-16-25(2,3)4/h12-15,23,26,28,30H,5-7,9-11,16,18-19H2,1-4H3