1-[3-(1-adamantylcarbamoylamino)phenyl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[3-(1-adamantylcarbamoylamino)phenyl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[3-(1-adamantylcarbamoylamino)benzoyl]piperidine-4-carboxylic acid CAS Name: 1-[[3-[[(1-adamantylamino)-oxomethyl]amino]phenyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-(1-adamantylcarbamoylamino)benzoyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-(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(=CC=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

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

InChI

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