3-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]benzoic acid

Systemtic Name: 3-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]benzoic acid Openeye Name: 3-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]benzoic acid CAS Name: 3-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]benzoic acid IUPAC Name: 3-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]benzoic acid Traditional Name: 3-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]benzoic acid Formula: C25H26ClNO3 MolecularWeight: 423.93184

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)C5=CC(=CC=C5)C(=O)O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)C5=CC(=CC=C5)C(=O)O)Cl

InChI

InChI=1S/C25H26ClNO3/c26-22-5-4-19(18-2-1-3-20(9-18)24(29)30)10-21(22)23(28)27-14-25-11-15-6-16(12-25)8-17(7-15)13-25/h1-5,9-10,15-17H,6-8,11-14H2,(H,27,28)(H,29,30)