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

Systemtic Name: methyl 3-[(Z)-3-[3-(1-adamantyl)-4-methoxy-phenyl]-2-methyl-prop-1-enoxy]-4-iodanyl-benzoate Openeye Name: methyl 3-[(Z)-3-[3-(1-adamantyl)-4-methoxy-phenyl]-2-methyl-prop-1-enoxy]-4-iodo-benzoate CAS Name: 3-[(Z)-3-[3-(1-adamantyl)-4-methoxyphenyl]-2-methylprop-1-enoxy]-4-iodobenzoic acid methyl ester IUPAC Name: methyl 3-[(Z)-3-[3-(1-adamantyl)-4-methoxyphenyl]-2-methylprop-1-enoxy]-4-iodobenzoate Traditional Name: 3-[(Z)-3-[3-(1-adamantyl)-4-methoxy-phenyl]-2-methyl-prop-1-enoxy]-4-iodo-benzoic acid methyl ester Formula: C29H33IO4 MolecularWeight: 572.47439

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Descriptors Computed from Structure

Canonical SMILES:

CC(=COC1=C(C=CC(=C1)C(=O)OC)I)CC2=CC(=C(C=C2)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C/C(=C/OC1=C(C=CC(=C1)C(=O)OC)I)/CC2=CC(=C(C=C2)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H33IO4/c1-18(17-34-27-13-23(28(31)33-3)5-6-25(27)30)8-19-4-7-26(32-2)24(12-19)29-14-20-9-21(15-29)11-22(10-20)16-29/h4-7,12-13,17,20-22H,8-11,14-16H2,1-3H3/b18-17-