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

Systemtic Name: ethyl 2-[(3-cyclohexyl-3-oxidanyl-butyl)-formamido-amino]-9-(oxan-2-yloxy)non-7-ynoate Openeye Name: ethyl 2-[(3-cyclohexyl-3-hydroxy-butyl)-formamido-amino]-9-tetrahydropyran-2-yloxy-non-7-ynoate CAS Name: 2-[(3-cyclohexyl-3-hydroxybutyl)-formamidoamino]-9-(2-oxanyloxy)-7-nonynoic acid ethyl ester IUPAC Name: ethyl 2-[(3-cyclohexyl-3-hydroxybutyl)-formamidoamino]-9-(oxan-2-yloxy)non-7-ynoate Traditional Name: 2-[(3-cyclohexyl-3-hydroxy-butyl)-formamido-amino]-9-tetrahydropyran-2-yloxy-non-7-ynoic acid ethyl ester Formula: C27H46N2O6 MolecularWeight: 494.66394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCC#CCOC1CCCCO1)N(CCC(C)(C2CCCCC2)O)NC=O

Isomeric SMILES

CCOC(=O)C(CCCCC#CCOC1CCCCO1)N(CCC(C)(C2CCCCC2)O)NC=O

InChI

InChI=1S/C27H46N2O6/c1-3-33-26(31)24(16-10-5-4-6-12-20-34-25-17-11-13-21-35-25)29(28-22-30)19-18-27(2,32)23-14-8-7-9-15-23/h22-25,32H,3-5,7-11,13-21H2,1-2H3,(H,28,30)