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

Systemtic Name: 1-[3-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]pyridin-2-yl]azetidine-3-carboxylic acid Openeye Name: 1-[3-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-2-pyridyl]azetidine-3-carboxylic acid CAS Name: 1-[3-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]-2-pyridinyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[3-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]pyridin-2-yl]azetidine-3-carboxylic acid Traditional Name: 1-[3-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]-2-pyridyl]azetidine-3-carboxylic acid Formula: C27H30ClN3O3 MolecularWeight: 479.9984

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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)N6CC(C6)C(=O)O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)C5=C(N=CC=C5)N6CC(C6)C(=O)O)Cl

InChI

InChI=1S/C27H30ClN3O3/c28-23-4-3-19(21-2-1-5-29-24(21)31-13-20(14-31)26(33)34)9-22(23)25(32)30-15-27-10-16-6-17(11-27)8-18(7-16)12-27/h1-5,9,16-18,20H,6-8,10-15H2,(H,30,32)(H,33,34)