3-[3-[2-(1-adamantyl)ethylcarbamoyl]-4-chloranyl-phenyl]pyridine-2-carboxylic acid

Systemtic Name: 3-[3-[2-(1-adamantyl)ethylcarbamoyl]-4-chloranyl-phenyl]pyridine-2-carboxylic acid Openeye Name: 3-[3-[2-(1-adamantyl)ethylcarbamoyl]-4-chloro-phenyl]pyridine-2-carboxylic acid CAS Name: 3-[3-[[2-(1-adamantyl)ethylamino]-oxomethyl]-4-chlorophenyl]-2-pyridinecarboxylic acid IUPAC Name: 3-[3-[2-(1-adamantyl)ethylcarbamoyl]-4-chlorophenyl]pyridine-2-carboxylic acid Traditional Name: 3-[3-[2-(1-adamantyl)ethylcarbamoyl]-4-chloro-phenyl]picolinic acid Formula: C25H27ClN2O3 MolecularWeight: 438.94648

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CCNC(=O)C4=C(C=CC(=C4)C5=C(N=CC=C5)C(=O)O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CCNC(=O)C4=C(C=CC(=C4)C5=C(N=CC=C5)C(=O)O)Cl

InChI

InChI=1S/C25H27ClN2O3/c26-21-4-3-18(19-2-1-6-27-22(19)24(30)31)11-20(21)23(29)28-7-5-25-12-15-8-16(13-25)10-17(9-15)14-25/h1-4,6,11,15-17H,5,7-10,12-14H2,(H,28,29)(H,30,31)