2-[5-(1-adamantylmethylcarbamoyl)-6-chloranyl-quinolin-2-yl]benzoic acid

Systemtic Name: 2-[5-(1-adamantylmethylcarbamoyl)-6-chloranyl-quinolin-2-yl]benzoic acid Openeye Name: 2-[5-(1-adamantylmethylcarbamoyl)-6-chloro-2-quinolyl]benzoic acid CAS Name: 2-[5-[(1-adamantylmethylamino)-oxomethyl]-6-chloro-2-quinolinyl]benzoic acid IUPAC Name: 2-[5-(1-adamantylmethylcarbamoyl)-6-chloroquinolin-2-yl]benzoic acid Traditional Name: 2-[5-(1-adamantylmethylcarbamoyl)-6-chloro-2-quinolyl]benzoic acid Formula: C28H27ClN2O3 MolecularWeight: 474.97858

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC5=C4C=CC(=N5)C6=CC=CC=C6C(=O)O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC5=C4C=CC(=N5)C6=CC=CC=C6C(=O)O)Cl

InChI

InChI=1S/C28H27ClN2O3/c29-22-6-8-24-21(5-7-23(31-24)19-3-1-2-4-20(19)27(33)34)25(22)26(32)30-15-28-12-16-9-17(13-28)11-18(10-16)14-28/h1-8,16-18H,9-15H2,(H,30,32)(H,33,34)