tert-butyl N-[4-(3-cyclopentyloxy-4-methoxy-phenyl)-1-ethynyl-cyclohexyl]carbamate

Systemtic Name: tert-butyl N-[4-(3-cyclopentyloxy-4-methoxy-phenyl)-1-ethynyl-cyclohexyl]carbamate Openeye Name: tert-butyl N-[4-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-ethynyl-cyclohexyl]carbamate CAS Name: N-[4-(3-cyclopentyloxy-4-methoxyphenyl)-1-ethynylcyclohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(3-cyclopentyloxy-4-methoxyphenyl)-1-ethynylcyclohexyl]carbamate Traditional Name: N-[4-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-ethynyl-cyclohexyl]carbamic acid tert-butyl ester Formula: C25H35NO4 MolecularWeight: 413.5497

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1(CCC(CC1)C2=CC(=C(C=C2)OC)OC3CCCC3)C#C

Isomeric SMILES

CC(C)(C)OC(=O)NC1(CCC(CC1)C2=CC(=C(C=C2)OC)OC3CCCC3)C#C

InChI

InChI=1S/C25H35NO4/c1-6-25(26-23(27)30-24(2,3)4)15-13-18(14-16-25)19-11-12-21(28-5)22(17-19)29-20-9-7-8-10-20/h1,11-12,17-18,20H,7-10,13-16H2,2-5H3,(H,26,27)