1-[4-(1-adamantylcarbamoylamino)phenyl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[4-(1-adamantylcarbamoylamino)phenyl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-(1-adamantylcarbamoylamino)benzoyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-[[(1-adamantylamino)-oxomethyl]amino]phenyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(1-adamantylcarbamoylamino)benzoyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-(1-adamantylcarbamoylamino)benzoyl]isonipecotic acid Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2=CC=C(C=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2=CC=C(C=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H31N3O4/c28-21(27-7-5-19(6-8-27)22(29)30)18-1-3-20(4-2-18)25-23(31)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-4,15-17,19H,5-14H2,(H,29,30)(H2,25,26,31)