tert-butyl N-(1-phenyl-7-phenylmethoxy-hept-1-yn-3-yl)carbamate

Systemtic Name: tert-butyl N-(1-phenyl-7-phenylmethoxy-hept-1-yn-3-yl)carbamate Openeye Name: tert-butyl N-[5-benzyloxy-1-(2-phenylethynyl)pentyl]carbamate CAS Name: N-(1-phenyl-7-phenylmethoxyhept-1-yn-3-yl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(1-phenyl-7-phenylmethoxyhept-1-yn-3-yl)carbamate Traditional Name: N-[1-(4-benzoxybutyl)-3-phenyl-prop-2-ynyl]carbamic acid tert-butyl ester Formula: C25H31NO3 MolecularWeight: 393.51854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCOCC1=CC=CC=C1)C#CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCCCOCC1=CC=CC=C1)C#CC2=CC=CC=C2

InChI

InChI=1S/C25H31NO3/c1-25(2,3)29-24(27)26-23(18-17-21-12-6-4-7-13-21)16-10-11-19-28-20-22-14-8-5-9-15-22/h4-9,12-15,23H,10-11,16,19-20H2,1-3H3,(H,26,27)