ethyl 2-[(4-cyclohexyl-3-methyl-3-oxidanyl-butyl)amino]-9-(oxan-2-yloxy)non-7-ynoate

Systemtic Name: ethyl 2-[(4-cyclohexyl-3-methyl-3-oxidanyl-butyl)amino]-9-(oxan-2-yloxy)non-7-ynoate Openeye Name: ethyl 2-[(4-cyclohexyl-3-hydroxy-3-methyl-butyl)amino]-9-tetrahydropyran-2-yloxy-non-7-ynoate CAS Name: 2-[(4-cyclohexyl-3-hydroxy-3-methylbutyl)amino]-9-(2-oxanyloxy)-7-nonynoic acid ethyl ester IUPAC Name: ethyl 2-[(4-cyclohexyl-3-hydroxy-3-methylbutyl)amino]-9-(oxan-2-yloxy)non-7-ynoate Traditional Name: 2-[(4-cyclohexyl-3-hydroxy-3-methyl-butyl)amino]-9-tetrahydropyran-2-yloxy-non-7-ynoic acid ethyl ester Formula: C27H47NO5 MolecularWeight: 465.66578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCC#CCOC1CCCCO1)NCCC(C)(CC2CCCCC2)O

Isomeric SMILES

CCOC(=O)C(CCCCC#CCOC1CCCCO1)NCCC(C)(CC2CCCCC2)O

InChI

InChI=1S/C27H47NO5/c1-3-31-26(29)24(28-19-18-27(2,30)22-23-14-8-7-9-15-23)16-10-5-4-6-12-20-32-25-17-11-13-21-33-25/h23-25,28,30H,3-5,7-11,13-22H2,1-2H3