2-[[1-[2-(1H-imidazol-5-yl)-1,1,1-triphenyl-butan-2-yl]-2-methyl-1-oxidanyl-naphthalen-2-yl]carbonylamino]ethanoate

Systemtic Name: 2-[[1-[2-(1H-imidazol-5-yl)-1,1,1-triphenyl-butan-2-yl]-2-methyl-1-oxidanyl-naphthalen-2-yl]carbonylamino]ethanoate Openeye Name: 2-[[1-hydroxy-1-[1-(1H-imidazol-5-yl)-1-trityl-propyl]-2-methyl-naphthalene-2-carbonyl]amino]acetate CAS Name: 2-[[[1-hydroxy-1-[2-(1H-imidazol-5-yl)-1,1,1-triphenylbutan-2-yl]-2-methyl-2-naphthalenyl]-oxomethyl]amino]acetate IUPAC Name: 2-[[1-hydroxy-1-[2-(1H-imidazol-5-yl)-1,1,1-triphenylbutan-2-yl]-2-methylnaphthalene-2-carbonyl]amino]acetate Traditional Name: 2-[[1-hydroxy-1-[1-(1H-imidazol-5-yl)-1-trityl-propyl]-2-methyl-2-naphthoyl]amino]acetate Formula: C39H36N3O4- MolecularWeight: 610.72084

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CN=CN1)(C2(C3=CC=CC=C3C=CC2(C)C(=O)NCC(=O)[O-])O)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCC(C1=CN=CN1)(C2(C3=CC=CC=C3C=CC2(C)C(=O)NCC(=O)[O-])O)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C39H37N3O4/c1-3-37(33-25-40-27-42-33,39(46)32-22-14-13-15-28(32)23-24-36(39,2)35(45)41-26-34(43)44)38(29-16-7-4-8-17-29,30-18-9-5-10-19-30)31-20-11-6-12-21-31/h4-25,27,46H,3,26H2,1-2H3,(H,40,42)(H,41,45)(H,43,44)/p-1