(E)-2-diazonio-1-[2-methoxycarbonyl-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutyl]ethenolate

Systemtic Name: (E)-2-diazonio-1-[2-methoxycarbonyl-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutyl]ethenolate Openeye Name: (E)-2-diazonio-1-[2-methoxycarbonyl-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutyl]ethenolate CAS Name: (E)-2-diazonio-1-[2-methoxycarbonyl-3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]cyclobutyl]ethenolate IUPAC Name: (E)-2-diazonio-1-[2-methoxycarbonyl-3,4-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutyl]ethenolate Traditional Name: (E)-1-[2-carbomethoxy-3,4-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutyl]-2-diazonio-ethenolate Formula: C42H44N4O7 MolecularWeight: 716.82136

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)OC)C(=C[N+]#N)[O-]

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)OC)/C(=C\[N+]#N)/[O-]

InChI

InChI=1S/C42H44N4O7/c1-4-24-45(27-29-16-20-33(21-17-29)52-31-12-8-6-9-13-31)40(48)37-36(35(47)26-44-43)39(42(50)51-3)38(37)41(49)46(25-5-2)28-30-18-22-34(23-19-30)53-32-14-10-7-11-15-32/h6-23,26,36-39H,4-5,24-25,27-28H2,1-3H3/b35-26+