2-[3-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]pyridin-2-yl]ethanoic acid

Systemtic Name: 2-[3-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]pyridin-2-yl]ethanoic acid Openeye Name: 2-[3-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-2-pyridyl]acetic acid CAS Name: 2-[3-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]-2-pyridinyl]acetic acid IUPAC Name: 2-[3-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]pyridin-2-yl]acetic acid Traditional Name: 2-[3-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-2-pyridyl]acetic acid Formula: C25H27ClN2O3 MolecularWeight: 438.94648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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