[5-methoxy-2-nitro-4-(3-oxidanylpropoxy)phenyl]methyl 4-[bis(4-methoxyphenyl)-phenyl-methoxy]butanoate

Systemtic Name: [5-methoxy-2-nitro-4-(3-oxidanylpropoxy)phenyl]methyl 4-[bis(4-methoxyphenyl)-phenyl-methoxy]butanoate Openeye Name: [4-(3-hydroxypropoxy)-5-methoxy-2-nitro-phenyl]methyl 4-[bis(4-methoxyphenyl)-phenyl-methoxy]butanoate CAS Name: 4-[bis(4-methoxyphenyl)-phenylmethoxy]butanoic acid [4-(3-hydroxypropoxy)-5-methoxy-2-nitrophenyl]methyl ester IUPAC Name: [4-(3-hydroxypropoxy)-5-methoxy-2-nitrophenyl]methyl 4-[bis(4-methoxyphenyl)-phenylmethoxy]butanoate Traditional Name: 4-[bis(4-methoxyphenyl)-phenyl-methoxy]butyric acid [4-(3-hydroxypropoxy)-5-methoxy-2-nitro-benzyl] ester Formula: C36H39NO10 MolecularWeight: 645.69556

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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)OCCCC(=O)OCC4=CC(=C(C=C4[N+](=O)[O-])OCCCO)OC

Isomeric SMILES

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

InChI

InChI=1S/C36H39NO10/c1-42-30-16-12-28(13-17-30)36(27-9-5-4-6-10-27,29-14-18-31(43-2)19-15-29)47-22-7-11-35(39)46-25-26-23-33(44-3)34(45-21-8-20-38)24-32(26)37(40)41/h4-6,9-10,12-19,23-24,38H,7-8,11,20-22,25H2,1-3H3