methyl 3-[6-(3,5-didecoxyphenoxy)hexyl]-4-[(E)-C-(4-methoxycarbonylphenyl)-N-oxidanyl-carbonimidoyl]benzoate

Systemtic Name: methyl 3-[6-(3,5-didecoxyphenoxy)hexyl]-4-[(E)-C-(4-methoxycarbonylphenyl)-N-oxidanyl-carbonimidoyl]benzoate Openeye Name: methyl 3-[6-(3,5-didecoxyphenoxy)hexyl]-4-[(E)-N-hydroxy-C-(4-methoxycarbonylphenyl)carbonimidoyl]benzoate CAS Name: 3-[6-(3,5-didecoxyphenoxy)hexyl]-4-[(E)-hydroxyimino-(4-methoxycarbonylphenyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[6-(3,5-didecoxyphenoxy)hexyl]-4-[(E)-N-hydroxy-C-(4-methoxycarbonylphenyl)carbonimidoyl]benzoate Traditional Name: 4-[(E)-(4-carbomethoxyphenyl)carbohydroximoyl]-3-[6-(3,5-didecoxyphenoxy)hexyl]benzoic acid methyl ester Formula: C49H71NO8 MolecularWeight: 802.08994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC(=CC(=C1)OCCCCCCC2=C(C=CC(=C2)C(=O)OC)C(=NO)C3=CC=C(C=C3)C(=O)OC)OCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCOC1=CC(=CC(=C1)OCCCCCCC2=C(C=CC(=C2)C(=O)OC)/C(=N/O)/C3=CC=C(C=C3)C(=O)OC)OCCCCCCCCCC

InChI

InChI=1S/C49H71NO8/c1-5-7-9-11-13-15-18-22-32-56-43-36-44(57-33-23-19-16-14-12-10-8-6-2)38-45(37-43)58-34-24-20-17-21-25-41-35-42(49(52)55-4)30-31-46(41)47(50-53)39-26-28-40(29-27-39)48(51)54-3/h26-31,35-38,53H,5-25,32-34H2,1-4H3/b50-47+