tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-[4-(4-phenoxyphenyl)but-3-yn-2-yl]amino] carbonate

Systemtic Name: tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-[4-(4-phenoxyphenyl)but-3-yn-2-yl]amino] carbonate Openeye Name: [tert-butoxycarbonyl-[1-methyl-3-(4-phenoxyphenyl)prop-2-ynyl]amino] tert-butyl carbonate CAS Name: carbonic acid tert-butyl [[(2-methylpropan-2-yl)oxy-oxomethyl]-[4-(4-phenoxyphenyl)but-3-yn-2-yl]amino] ester IUPAC Name: tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-[4-(4-phenoxyphenyl)but-3-yn-2-yl]amino] carbonate Traditional Name: carbonic acid [tert-butoxycarbonyl-[1-methyl-3-(4-phenoxyphenyl)prop-2-ynyl]amino] tert-butyl ester Formula: C26H31NO6 MolecularWeight: 453.52744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC=C(C=C1)OC2=CC=CC=C2)N(C(=O)OC(C)(C)C)OC(=O)OC(C)(C)C

Isomeric SMILES

CC(C#CC1=CC=C(C=C1)OC2=CC=CC=C2)N(C(=O)OC(C)(C)C)OC(=O)OC(C)(C)C

InChI

InChI=1S/C26H31NO6/c1-19(27(23(28)31-25(2,3)4)33-24(29)32-26(5,6)7)13-14-20-15-17-22(18-16-20)30-21-11-9-8-10-12-21/h8-12,15-19H,1-7H3