methyl 2-[3-[3-(2-ethyl-5-oxidanyl-4-pyrrol-1-yl-phenoxy)propoxy]-2-propyl-phenoxy]benzoate

Systemtic Name: methyl 2-[3-[3-(2-ethyl-5-oxidanyl-4-pyrrol-1-yl-phenoxy)propoxy]-2-propyl-phenoxy]benzoate Openeye Name: methyl 2-[3-[3-(2-ethyl-5-hydroxy-4-pyrrol-1-yl-phenoxy)propoxy]-2-propyl-phenoxy]benzoate CAS Name: 2-[3-[3-[2-ethyl-5-hydroxy-4-(1-pyrrolyl)phenoxy]propoxy]-2-propylphenoxy]benzoic acid methyl ester IUPAC Name: methyl 2-[3-[3-(2-ethyl-5-hydroxy-4-pyrrol-1-ylphenoxy)propoxy]-2-propylphenoxy]benzoate Traditional Name: 2-[3-[3-(2-ethyl-5-hydroxy-4-pyrrol-1-yl-phenoxy)propoxy]-2-propyl-phenoxy]benzoic acid methyl ester Formula: C32H35NO6 MolecularWeight: 529.6234

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC=C1OCCCOC2=CC(=C(C=C2CC)N3C=CC=C3)O)OC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CCCC1=C(C=CC=C1OCCCOC2=CC(=C(C=C2CC)N3C=CC=C3)O)OC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C32H35NO6/c1-4-12-24-28(15-10-16-29(24)39-30-14-7-6-13-25(30)32(35)36-3)37-19-11-20-38-31-22-27(34)26(21-23(31)5-2)33-17-8-9-18-33/h6-10,13-18,21-22,34H,4-5,11-12,19-20H2,1-3H3