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

Systemtic Name: 1-[5-(1-adamantylmethylcarbamoyl)-6-chloranyl-quinolin-2-yl]-4-methyl-piperidine-4-carboxylic acid Openeye Name: 1-[5-(1-adamantylmethylcarbamoyl)-6-chloro-2-quinolyl]-4-methyl-piperidine-4-carboxylic acid CAS Name: 1-[5-[(1-adamantylmethylamino)-oxomethyl]-6-chloro-2-quinolinyl]-4-methyl-4-piperidinecarboxylic acid IUPAC Name: 1-[5-(1-adamantylmethylcarbamoyl)-6-chloroquinolin-2-yl]-4-methylpiperidine-4-carboxylic acid Traditional Name: 1-[5-(1-adamantylmethylcarbamoyl)-6-chloro-2-quinolyl]-4-methyl-isonipecotic acid Formula: C28H34ClN3O3 MolecularWeight: 496.04086

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(CC1)C2=NC3=C(C=C2)C(=C(C=C3)Cl)C(=O)NCC45CC6CC(C4)CC(C6)C5)C(=O)O

Isomeric SMILES

CC1(CCN(CC1)C2=NC3=C(C=C2)C(=C(C=C3)Cl)C(=O)NCC45CC6CC(C4)CC(C6)C5)C(=O)O

InChI

InChI=1S/C28H34ClN3O3/c1-27(26(34)35)6-8-32(9-7-27)23-5-2-20-22(31-23)4-3-21(29)24(20)25(33)30-16-28-13-17-10-18(14-28)12-19(11-17)15-28/h2-5,17-19H,6-16H2,1H3,(H,30,33)(H,34,35)