tert-butyl N-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-1,8-diphenyl-octa-3,5-diyn-2-yl]carbamate

Systemtic Name: tert-butyl N-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-1,8-diphenyl-octa-3,5-diyn-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-6-(tert-butoxycarbonylamino)-7-phenyl-hepta-2,4-diynyl]carbamate CAS Name: N-[7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,8-diphenylocta-3,5-diyn-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-1,8-diphenylocta-3,5-diyn-2-yl]carbamate Traditional Name: N-[1-benzyl-6-(tert-butoxycarbonylamino)-7-phenyl-hepta-2,4-diynyl]carbamic acid tert-butyl ester Formula: C30H36N2O4 MolecularWeight: 488.61784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C#CC#CC(CC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C#CC#CC(CC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C30H36N2O4/c1-29(2,3)35-27(33)31-25(21-23-15-9-7-10-16-23)19-13-14-20-26(22-24-17-11-8-12-18-24)32-28(34)36-30(4,5)6/h7-12,15-18,25-26H,21-22H2,1-6H3,(H,31,33)(H,32,34)