3-[4-[(1-adamantylcarbamoylamino)methyl]piperidin-1-yl]carbonylbenzoic acid

Systemtic Name: 3-[4-[(1-adamantylcarbamoylamino)methyl]piperidin-1-yl]carbonylbenzoic acid Openeye Name: 3-[4-[(1-adamantylcarbamoylamino)methyl]piperidine-1-carbonyl]benzoic acid CAS Name: 3-[[4-[[[(1-adamantylamino)-oxomethyl]amino]methyl]-1-piperidinyl]-oxomethyl]benzoic acid IUPAC Name: 3-[4-[(1-adamantylcarbamoylamino)methyl]piperidine-1-carbonyl]benzoic acid Traditional Name: 3-[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(=CC=C5)C(=O)O

Isomeric SMILES

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

InChI

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