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

Systemtic Name: 2-[[3-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]pyridin-2-yl]amino]ethanoic acid Openeye Name: 2-[[3-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-2-pyridyl]amino]acetic acid CAS Name: 2-[[3-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]-2-pyridinyl]amino]acetic acid IUPAC Name: 2-[[3-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]pyridin-2-yl]amino]acetic acid Traditional Name: 2-[[3-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-2-pyridyl]amino]acetic acid Formula: C25H28ClN3O3 MolecularWeight: 453.96112

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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)NCC(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H28ClN3O3/c26-21-4-3-18(19-2-1-5-27-23(19)28-13-22(30)31)9-20(21)24(32)29-14-25-10-15-6-16(11-25)8-17(7-15)12-25/h1-5,9,15-17H,6-8,10-14H2,(H,27,28)(H,29,32)(H,30,31)