4-[4-[(1-adamantylcarbamoylamino)methyl]piperidin-1-yl]carbonylbenzoic acid

Systemtic Name: 4-[4-[(1-adamantylcarbamoylamino)methyl]piperidin-1-yl]carbonylbenzoic acid Openeye Name: 4-[4-[(1-adamantylcarbamoylamino)methyl]piperidine-1-carbonyl]benzoic acid CAS Name: 4-[[4-[[[(1-adamantylamino)-oxomethyl]amino]methyl]-1-piperidinyl]-oxomethyl]benzoic acid IUPAC Name: 4-[4-[(1-adamantylcarbamoylamino)methyl]piperidine-1-carbonyl]benzoic acid Traditional Name: 4-[4-[(1-adamantylcarbamoylamino)methyl]piperidine-1-carbonyl]benzoic acid Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1CN(CCC1CNC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C25H33N3O4/c29-22(20-1-3-21(4-2-20)23(30)31)28-7-5-16(6-8-28)15-26-24(32)27-25-12-17-9-18(13-25)11-19(10-17)14-25/h1-4,16-19H,5-15H2,(H,30,31)(H2,26,27,32)