5-[5-(1-adamantylmethylcarbamoyl)-6-chloranyl-quinolin-2-yl]pyridine-3-carboxylic acid

Systemtic Name: 5-[5-(1-adamantylmethylcarbamoyl)-6-chloranyl-quinolin-2-yl]pyridine-3-carboxylic acid Openeye Name: 5-[5-(1-adamantylmethylcarbamoyl)-6-chloro-2-quinolyl]pyridine-3-carboxylic acid CAS Name: 5-[5-[(1-adamantylmethylamino)-oxomethyl]-6-chloro-2-quinolinyl]-3-pyridinecarboxylic acid IUPAC Name: 5-[5-(1-adamantylmethylcarbamoyl)-6-chloroquinolin-2-yl]pyridine-3-carboxylic acid Traditional Name: 5-[5-(1-adamantylmethylcarbamoyl)-6-chloro-2-quinolyl]nicotinic acid Formula: C27H26ClN3O3 MolecularWeight: 475.96664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26ClN3O3/c28-21-2-4-23-20(1-3-22(31-23)18-8-19(26(33)34)13-29-12-18)24(21)25(32)30-14-27-9-15-5-16(10-27)7-17(6-15)11-27/h1-4,8,12-13,15-17H,5-7,9-11,14H2,(H,30,32)(H,33,34)