methyl 3-[(Z)-2-[4-(1-adamantyl)-3-methoxy-phenyl]prop-1-enoxy]-4-iodanyl-benzoate

Systemtic Name: methyl 3-[(Z)-2-[4-(1-adamantyl)-3-methoxy-phenyl]prop-1-enoxy]-4-iodanyl-benzoate Openeye Name: methyl 3-[(Z)-2-[4-(1-adamantyl)-3-methoxy-phenyl]prop-1-enoxy]-4-iodo-benzoate CAS Name: 3-[(Z)-2-[4-(1-adamantyl)-3-methoxyphenyl]prop-1-enoxy]-4-iodobenzoic acid methyl ester IUPAC Name: methyl 3-[(Z)-2-[4-(1-adamantyl)-3-methoxyphenyl]prop-1-enoxy]-4-iodobenzoate Traditional Name: 3-[(Z)-2-[4-(1-adamantyl)-3-methoxy-phenyl]prop-1-enoxy]-4-iodo-benzoic acid methyl ester Formula: C28H31IO4 MolecularWeight: 558.44781

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Descriptors Computed from Structure

Canonical SMILES:

CC(=COC1=C(C=CC(=C1)C(=O)OC)I)C2=CC(=C(C=C2)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

C/C(=C/OC1=C(C=CC(=C1)C(=O)OC)I)/C2=CC(=C(C=C2)C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C28H31IO4/c1-17(16-33-26-12-22(27(30)32-3)5-7-24(26)29)21-4-6-23(25(11-21)31-2)28-13-18-8-19(14-28)10-20(9-18)15-28/h4-7,11-12,16,18-20H,8-10,13-15H2,1-3H3/b17-16-