[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 4-butylcyclohexane-1-carboxylate

Systemtic Name: [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 4-butylcyclohexane-1-carboxylate Openeye Name: [5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [5-(3,4-dimethoxyphenyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl ester Formula: C23H31NO5 MolecularWeight: 401.49594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OCC2=NOC(=C2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OCC2=NOC(=C2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H31NO5/c1-4-5-6-16-7-9-17(10-8-16)23(25)28-15-19-14-21(29-24-19)18-11-12-20(26-2)22(13-18)27-3/h11-14,16-17H,4-10,15H2,1-3H3