2-[4-(1-adamantylcarbamoylamino)piperidin-1-yl]carbonylbenzoic acid

Systemtic Name: 2-[4-(1-adamantylcarbamoylamino)piperidin-1-yl]carbonylbenzoic acid Openeye Name: 2-[4-(1-adamantylcarbamoylamino)piperidine-1-carbonyl]benzoic acid CAS Name: 2-[[4-[[(1-adamantylamino)-oxomethyl]amino]-1-piperidinyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-(1-adamantylcarbamoylamino)piperidine-1-carbonyl]benzoic acid Traditional Name: 2-[4-(1-adamantylcarbamoylamino)piperidine-1-carbonyl]benzoic acid Formula: C24H31N3O4 MolecularWeight: 425.52064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=CC=C5C(=O)O

Isomeric SMILES

C1CN(CCC1NC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=CC=C5C(=O)O

InChI

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