2-[2-(1-adamantylcarbamoyl)phenyl]benzoic acid

Systemtic Name: 2-[2-(1-adamantylcarbamoyl)phenyl]benzoic acid Openeye Name: 2-[2-(1-adamantylcarbamoyl)phenyl]benzoic acid CAS Name: 2-[2-[(1-adamantylamino)-oxomethyl]phenyl]benzoic acid IUPAC Name: 2-[2-(1-adamantylcarbamoyl)phenyl]benzoic acid Traditional Name: 2-[2-(1-adamantylcarbamoyl)phenyl]benzoic acid Formula: C24H25NO3 MolecularWeight: 375.4602

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=CC=C4C5=CC=CC=C5C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=CC=C4C5=CC=CC=C5C(=O)O

InChI

InChI=1S/C24H25NO3/c26-22(25-24-12-15-9-16(13-24)11-17(10-15)14-24)20-7-3-1-5-18(20)19-6-2-4-8-21(19)23(27)28/h1-8,15-17H,9-14H2,(H,25,26)(H,27,28)