1-[5-(1-adamantylmethylcarbamoyl)-6-chloranyl-quinolin-2-yl]-4-oxidanyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[5-(1-adamantylmethylcarbamoyl)-6-chloranyl-quinolin-2-yl]-4-oxidanyl-piperidine-4-carboxylic acid Openeye Name: 1-[5-(1-adamantylmethylcarbamoyl)-6-chloro-2-quinolyl]-4-hydroxy-piperidine-4-carboxylic acid CAS Name: 1-[5-[(1-adamantylmethylamino)-oxomethyl]-6-chloro-2-quinolinyl]-4-hydroxy-4-piperidinecarboxylic acid IUPAC Name: 1-[5-(1-adamantylmethylcarbamoyl)-6-chloroquinolin-2-yl]-4-hydroxypiperidine-4-carboxylic acid Traditional Name: 1-[5-(1-adamantylmethylcarbamoyl)-6-chloro-2-quinolyl]-4-hydroxy-isonipecotic acid Formula: C27H32ClN3O4 MolecularWeight: 498.01368

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C(=O)O)O)C2=NC3=C(C=C2)C(=C(C=C3)Cl)C(=O)NCC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCC1(C(=O)O)O)C2=NC3=C(C=C2)C(=C(C=C3)Cl)C(=O)NCC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H32ClN3O4/c28-20-2-3-21-19(1-4-22(30-21)31-7-5-27(35,6-8-31)25(33)34)23(20)24(32)29-15-26-12-16-9-17(13-26)11-18(10-16)14-26/h1-4,16-18,35H,5-15H2,(H,29,32)(H,33,34)