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

Systemtic Name: tert-butyl N-[3-(3-cyclopentyloxy-4-methoxy-phenyl)-3-ethynyl-cyclobutyl]carbamate Openeye Name: tert-butyl N-[3-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-ethynyl-cyclobutyl]carbamate CAS Name: N-[3-(3-cyclopentyloxy-4-methoxyphenyl)-3-ethynylcyclobutyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(3-cyclopentyloxy-4-methoxyphenyl)-3-ethynylcyclobutyl]carbamate Traditional Name: N-[3-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-ethynyl-cyclobutyl]carbamic acid tert-butyl ester Formula: C23H31NO4 MolecularWeight: 385.49654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CC(C1)(C#C)C2=CC(=C(C=C2)OC)OC3CCCC3

Isomeric SMILES

CC(C)(C)OC(=O)NC1CC(C1)(C#C)C2=CC(=C(C=C2)OC)OC3CCCC3

InChI

InChI=1S/C23H31NO4/c1-6-23(14-17(15-23)24-21(25)28-22(2,3)4)16-11-12-19(26-5)20(13-16)27-18-9-7-8-10-18/h1,11-13,17-18H,7-10,14-15H2,2-5H3,(H,24,25)