methyl 3-methanoyl-4-[3-[4-(1-oxidanyl-4-phenyl-butyl)phenoxy]propoxy]benzoate

Systemtic Name: methyl 3-methanoyl-4-[3-[4-(1-oxidanyl-4-phenyl-butyl)phenoxy]propoxy]benzoate Openeye Name: methyl 3-formyl-4-[3-[4-(1-hydroxy-4-phenyl-butyl)phenoxy]propoxy]benzoate CAS Name: 3-formyl-4-[3-[4-(1-hydroxy-4-phenylbutyl)phenoxy]propoxy]benzoic acid methyl ester IUPAC Name: methyl 3-formyl-4-[3-[4-(1-hydroxy-4-phenylbutyl)phenoxy]propoxy]benzoate Traditional Name: 3-formyl-4-[3-[4-(1-hydroxy-4-phenyl-butyl)phenoxy]propoxy]benzoic acid methyl ester Formula: C28H30O6 MolecularWeight: 462.5342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCCCOC2=CC=C(C=C2)C(CCCC3=CC=CC=C3)O)C=O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCCCOC2=CC=C(C=C2)C(CCCC3=CC=CC=C3)O)C=O

InChI

InChI=1S/C28H30O6/c1-32-28(31)23-13-16-27(24(19-23)20-29)34-18-6-17-33-25-14-11-22(12-15-25)26(30)10-5-9-21-7-3-2-4-8-21/h2-4,7-8,11-16,19-20,26,30H,5-6,9-10,17-18H2,1H3