methyl 4-[3-[(4-iodophenyl)-(4-methoxyphenyl)methoxy]prop-1-ynyl]benzoate

Systemtic Name: methyl 4-[3-[(4-iodophenyl)-(4-methoxyphenyl)methoxy]prop-1-ynyl]benzoate Openeye Name: methyl 4-[3-[(4-iodophenyl)-(4-methoxyphenyl)methoxy]prop-1-ynyl]benzoate CAS Name: 4-[3-[(4-iodophenyl)-(4-methoxyphenyl)methoxy]prop-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[(4-iodophenyl)-(4-methoxyphenyl)methoxy]prop-1-ynyl]benzoate Traditional Name: 4-[3-[(4-iodophenyl)-(4-methoxyphenyl)methoxy]prop-1-ynyl]benzoic acid methyl ester Formula: C25H21IO4 MolecularWeight: 512.33631

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)I)OCC#CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)I)OCC#CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C25H21IO4/c1-28-23-15-11-20(12-16-23)24(19-9-13-22(26)14-10-19)30-17-3-4-18-5-7-21(8-6-18)25(27)29-2/h5-16,24H,17H2,1-2H3