tert-butyl N-[2,2-dimethyl-5-[2-(4-octylphenyl)ethynyl]-1,3-dioxan-5-yl]carbamate

Systemtic Name: tert-butyl N-[2,2-dimethyl-5-[2-(4-octylphenyl)ethynyl]-1,3-dioxan-5-yl]carbamate Openeye Name: tert-butyl N-[2,2-dimethyl-5-[2-(4-octylphenyl)ethynyl]-1,3-dioxan-5-yl]carbamate CAS Name: N-[2,2-dimethyl-5-[2-(4-octylphenyl)ethynyl]-1,3-dioxan-5-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2,2-dimethyl-5-[2-(4-octylphenyl)ethynyl]-1,3-dioxan-5-yl]carbamate Traditional Name: N-[2,2-dimethyl-5-[2-(4-octylphenyl)ethynyl]-1,3-dioxan-5-yl]carbamic acid tert-butyl ester Formula: C27H41NO4 MolecularWeight: 443.61874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C#CC2(COC(OC2)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C#CC2(COC(OC2)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H41NO4/c1-7-8-9-10-11-12-13-22-14-16-23(17-15-22)18-19-27(20-30-26(5,6)31-21-27)28-24(29)32-25(2,3)4/h14-17H,7-13,20-21H2,1-6H3,(H,28,29)