2-[3-[[2-(1-adamantyl)ethyl-pentyl-carbamoyl]amino]propyl]pyridine-4-carboxylic acid

Systemtic Name: 2-[3-[[2-(1-adamantyl)ethyl-pentyl-carbamoyl]amino]propyl]pyridine-4-carboxylic acid Openeye Name: 2-[3-[[2-(1-adamantyl)ethyl-pentyl-carbamoyl]amino]propyl]pyridine-4-carboxylic acid CAS Name: 2-[3-[[[2-(1-adamantyl)ethyl-pentylamino]-oxomethyl]amino]propyl]-4-pyridinecarboxylic acid IUPAC Name: 2-[3-[[2-(1-adamantyl)ethyl-pentylcarbamoyl]amino]propyl]pyridine-4-carboxylic acid Traditional Name: 2-[3-[[2-(1-adamantyl)ethyl-amyl-carbamoyl]amino]propyl]isonicotinic acid Formula: C27H41N3O3 MolecularWeight: 455.63274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCCCC4=NC=CC(=C4)C(=O)O

Isomeric SMILES

CCCCCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCCCC4=NC=CC(=C4)C(=O)O

InChI

InChI=1S/C27H41N3O3/c1-2-3-4-11-30(12-8-27-17-20-13-21(18-27)15-22(14-20)19-27)26(33)29-9-5-6-24-16-23(25(31)32)7-10-28-24/h7,10,16,20-22H,2-6,8-9,11-15,17-19H2,1H3,(H,29,33)(H,31,32)