[1-(4-cyclohexylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butyl] but-3-ynoate

Systemtic Name: [1-(4-cyclohexylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butyl] but-3-ynoate Openeye Name: [1-(4-cyclohexylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butyl] but-3-ynoate CAS Name: 3-butynoic acid [1-(4-cyclohexylphenoxy)-1-(1-imidazolyl)-3,3-dimethylbutyl] ester IUPAC Name: [1-(4-cyclohexylphenoxy)-1-imidazol-1-yl-3,3-dimethylbutyl] but-3-ynoate Traditional Name: but-3-ynoic acid [1-(4-cyclohexylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butyl] ester Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(N1C=CN=C1)(OC2=CC=C(C=C2)C3CCCCC3)OC(=O)CC#C

Isomeric SMILES

CC(C)(C)CC(N1C=CN=C1)(OC2=CC=C(C=C2)C3CCCCC3)OC(=O)CC#C

InChI

InChI=1S/C25H32N2O3/c1-5-9-23(28)30-25(18-24(2,3)4,27-17-16-26-19-27)29-22-14-12-21(13-15-22)20-10-7-6-8-11-20/h1,12-17,19-20H,6-11,18H2,2-4H3