methyl 3-[2-[3-(1-adamantyl)-4-methoxy-phenyl]-2-oxidanylidene-ethoxy]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[3-(1-adamantyl)-4-methoxy-phenyl]-2-oxidanylidene-ethoxy]-4-methyl-benzoate Openeye Name: methyl 3-[2-[3-(1-adamantyl)-4-methoxy-phenyl]-2-oxo-ethoxy]-4-methyl-benzoate CAS Name: 3-[2-[3-(1-adamantyl)-4-methoxyphenyl]-2-oxoethoxy]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-(1-adamantyl)-4-methoxyphenyl]-2-oxoethoxy]-4-methylbenzoate Traditional Name: 3-[2-[3-(1-adamantyl)-4-methoxy-phenyl]-2-keto-ethoxy]-4-methyl-benzoic acid methyl ester Formula: C28H32O5 MolecularWeight: 448.55068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)OCC(=O)C2=CC(=C(C=C2)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)OCC(=O)C2=CC(=C(C=C2)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H32O5/c1-17-4-5-22(27(30)32-3)12-26(17)33-16-24(29)21-6-7-25(31-2)23(11-21)28-13-18-8-19(14-28)10-20(9-18)15-28/h4-7,11-12,18-20H,8-10,13-16H2,1-3H3