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

Systemtic Name: 1-[5-[2-(1-adamantyl)ethanoylamino]-6-chloranyl-quinolin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-[[2-(1-adamantyl)acetyl]amino]-6-chloro-2-quinolyl]piperidine-4-carboxylic acid CAS Name: 1-[5-[[2-(1-adamantyl)-1-oxoethyl]amino]-6-chloro-2-quinolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-[[2-(1-adamantyl)acetyl]amino]-6-chloroquinolin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-[[2-(1-adamantyl)acetyl]amino]-6-chloro-2-quinolyl]isonipecotic acid Formula: C27H32ClN3O3 MolecularWeight: 482.01428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC3=C(C=C2)C(=C(C=C3)Cl)NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC3=C(C=C2)C(=C(C=C3)Cl)NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H32ClN3O3/c28-21-2-3-22-20(1-4-23(29-22)31-7-5-19(6-8-31)26(33)34)25(21)30-24(32)15-27-12-16-9-17(13-27)11-18(10-16)14-27/h1-4,16-19H,5-15H2,(H,30,32)(H,33,34)