phenyl 4-[3-(5-butylthiophen-2-yl)-1,2-oxazol-5-yl]-4-pentyl-cyclohexane-1-carboxylate

Systemtic Name: phenyl 4-[3-(5-butylthiophen-2-yl)-1,2-oxazol-5-yl]-4-pentyl-cyclohexane-1-carboxylate Openeye Name: phenyl 4-[3-(5-butyl-2-thienyl)isoxazol-5-yl]-4-pentyl-cyclohexanecarboxylate CAS Name: 4-[3-(5-butyl-2-thiophenyl)-5-isoxazolyl]-4-pentyl-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 4-[3-(5-butylthiophen-2-yl)-1,2-oxazol-5-yl]-4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amyl-4-[3-(5-butyl-2-thienyl)isoxazol-5-yl]cyclohexanecarboxylic acid phenyl ester Formula: C29H37NO3S MolecularWeight: 479.67398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CCC(CC1)C(=O)OC2=CC=CC=C2)C3=CC(=NO3)C4=CC=C(S4)CCCC

Isomeric SMILES

CCCCCC1(CCC(CC1)C(=O)OC2=CC=CC=C2)C3=CC(=NO3)C4=CC=C(S4)CCCC

InChI

InChI=1S/C29H37NO3S/c1-3-5-10-18-29(19-16-22(17-20-29)28(31)32-23-11-8-7-9-12-23)27-21-25(30-33-27)26-15-14-24(34-26)13-6-4-2/h7-9,11-12,14-15,21-22H,3-6,10,13,16-20H2,1-2H3