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

Systemtic Name: ethyl 2-[(3-cyclohexyl-3-oxidanyl-butyl)amino]-9-(oxan-2-yloxy)non-7-ynoate Openeye Name: ethyl 2-[(3-cyclohexyl-3-hydroxy-butyl)amino]-9-tetrahydropyran-2-yloxy-non-7-ynoate CAS Name: 2-[(3-cyclohexyl-3-hydroxybutyl)amino]-9-(2-oxanyloxy)-7-nonynoic acid ethyl ester IUPAC Name: ethyl 2-[(3-cyclohexyl-3-hydroxybutyl)amino]-9-(oxan-2-yloxy)non-7-ynoate Traditional Name: 2-[(3-cyclohexyl-3-hydroxy-butyl)amino]-9-tetrahydropyran-2-yloxy-non-7-ynoic acid ethyl ester Formula: C26H45NO5 MolecularWeight: 451.6392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCC#CCOC1CCCCO1)NCCC(C)(C2CCCCC2)O

Isomeric SMILES

CCOC(=O)C(CCCCC#CCOC1CCCCO1)NCCC(C)(C2CCCCC2)O

InChI

InChI=1S/C26H45NO5/c1-3-30-25(28)23(27-19-18-26(2,29)22-14-8-7-9-15-22)16-10-5-4-6-12-20-31-24-17-11-13-21-32-24/h22-24,27,29H,3-5,7-11,13-21H2,1-2H3