tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-oct-1-ynylphenyl)imidazole-1-carboxylate

Systemtic Name: tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-oct-1-ynylphenyl)imidazole-1-carboxylate Openeye Name: tert-butyl 2-(tert-butoxycarbonylamino)-5-(4-oct-1-ynylphenyl)imidazole-1-carboxylate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-(4-oct-1-ynylphenyl)-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-oct-1-ynylphenyl)imidazole-1-carboxylate Traditional Name: 2-(tert-butoxycarbonylamino)-5-(4-oct-1-ynylphenyl)imidazole-1-carboxylic acid tert-butyl ester Formula: C27H37N3O4 MolecularWeight: 467.60038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=CC=C(C=C1)C2=CN=C(N2C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCC#CC1=CC=C(C=C1)C2=CN=C(N2C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H37N3O4/c1-8-9-10-11-12-13-14-20-15-17-21(18-16-20)22-19-28-23(29-24(31)33-26(2,3)4)30(22)25(32)34-27(5,6)7/h15-19H,8-12H2,1-7H3,(H,28,29,31)