4-[4-[5-[bis(4-methoxyphenyl)-phenyl-methoxy]pentanoyloxymethyl]-2-methoxy-5-nitro-phenoxy]butanoic acid

Systemtic Name: 4-[4-[5-[bis(4-methoxyphenyl)-phenyl-methoxy]pentanoyloxymethyl]-2-methoxy-5-nitro-phenoxy]butanoic acid Openeye Name: 4-[4-[5-[bis(4-methoxyphenyl)-phenyl-methoxy]pentanoyloxymethyl]-2-methoxy-5-nitro-phenoxy]butanoic acid CAS Name: 4-[4-[[5-[bis(4-methoxyphenyl)-phenylmethoxy]-1-oxopentoxy]methyl]-2-methoxy-5-nitrophenoxy]butanoic acid IUPAC Name: 4-[4-[5-[bis(4-methoxyphenyl)-phenylmethoxy]pentanoyloxymethyl]-2-methoxy-5-nitrophenoxy]butanoic acid Traditional Name: 4-[4-[5-[bis(4-methoxyphenyl)-phenyl-methoxy]pentanoyloxymethyl]-2-methoxy-5-nitro-phenoxy]butyric acid Formula: C38H41NO11 MolecularWeight: 687.73224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCCCCC(=O)OCC4=CC(=C(C=C4[N+](=O)[O-])OCCCC(=O)O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCCCCC(=O)OCC4=CC(=C(C=C4[N+](=O)[O-])OCCCC(=O)O)OC

InChI

InChI=1S/C38H41NO11/c1-45-31-18-14-29(15-19-31)38(28-10-5-4-6-11-28,30-16-20-32(46-2)21-17-30)50-23-8-7-13-37(42)49-26-27-24-34(47-3)35(25-33(27)39(43)44)48-22-9-12-36(40)41/h4-6,10-11,14-21,24-25H,7-9,12-13,22-23,26H2,1-3H3,(H,40,41)