methyl 4-[3-(1-adamantylcarbamoyl)-4-methoxy-phenoxy]-3,5-bis(chloranyl)benzoate

Systemtic Name: methyl 4-[3-(1-adamantylcarbamoyl)-4-methoxy-phenoxy]-3,5-bis(chloranyl)benzoate Openeye Name: methyl 4-[3-(1-adamantylcarbamoyl)-4-methoxy-phenoxy]-3,5-dichloro-benzoate CAS Name: 4-[3-[(1-adamantylamino)-oxomethyl]-4-methoxyphenoxy]-3,5-dichlorobenzoic acid methyl ester IUPAC Name: methyl 4-[3-(1-adamantylcarbamoyl)-4-methoxyphenoxy]-3,5-dichlorobenzoate Traditional Name: 4-[3-(1-adamantylcarbamoyl)-4-methoxy-phenoxy]-3,5-dichloro-benzoic acid methyl ester Formula: C26H27Cl2NO5 MolecularWeight: 504.40228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)OC2=C(C=C(C=C2Cl)C(=O)OC)Cl)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)OC2=C(C=C(C=C2Cl)C(=O)OC)Cl)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H27Cl2NO5/c1-32-22-4-3-18(34-23-20(27)8-17(9-21(23)28)25(31)33-2)10-19(22)24(30)29-26-11-14-5-15(12-26)7-16(6-14)13-26/h3-4,8-10,14-16H,5-7,11-13H2,1-2H3,(H,29,30)