4-[3-(1-adamantylcarbamoyl)-4-methoxy-phenoxy]-3,5-bis(chloranyl)benzoic acid

Systemtic Name: 4-[3-(1-adamantylcarbamoyl)-4-methoxy-phenoxy]-3,5-bis(chloranyl)benzoic acid Openeye Name: 4-[3-(1-adamantylcarbamoyl)-4-methoxy-phenoxy]-3,5-dichloro-benzoic acid CAS Name: 4-[3-[(1-adamantylamino)-oxomethyl]-4-methoxyphenoxy]-3,5-dichlorobenzoic acid IUPAC Name: 4-[3-(1-adamantylcarbamoyl)-4-methoxyphenoxy]-3,5-dichlorobenzoic acid Traditional Name: 4-[3-(1-adamantylcarbamoyl)-4-methoxy-phenoxy]-3,5-dichloro-benzoic acid Formula: C25H25Cl2NO5 MolecularWeight: 490.3757

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25Cl2NO5/c1-32-21-3-2-17(33-22-19(26)7-16(24(30)31)8-20(22)27)9-18(21)23(29)28-25-10-13-4-14(11-25)6-15(5-13)12-25/h2-3,7-9,13-15H,4-6,10-12H2,1H3,(H,28,29)(H,30,31)