methyl 3-[4-methanoyl-2-(4-phenylmethoxybutoxy)phenyl]benzoate

Systemtic Name: methyl 3-[4-methanoyl-2-(4-phenylmethoxybutoxy)phenyl]benzoate Openeye Name: methyl 3-[2-(4-benzyloxybutoxy)-4-formyl-phenyl]benzoate CAS Name: 3-[4-formyl-2-(4-phenylmethoxybutoxy)phenyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-formyl-2-(4-phenylmethoxybutoxy)phenyl]benzoate Traditional Name: 3-[2-(4-benzoxybutoxy)-4-formyl-phenyl]benzoic acid methyl ester Formula: C26H26O5 MolecularWeight: 418.48164

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C2=C(C=C(C=C2)C=O)OCCCCOCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C2=C(C=C(C=C2)C=O)OCCCCOCC3=CC=CC=C3

InChI

InChI=1S/C26H26O5/c1-29-26(28)23-11-7-10-22(17-23)24-13-12-21(18-27)16-25(24)31-15-6-5-14-30-19-20-8-3-2-4-9-20/h2-4,7-13,16-18H,5-6,14-15,19H2,1H3