2-[1-[5-(1-adamantylmethylcarbamoyl)-6-chloranyl-quinolin-2-yl]piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[5-(1-adamantylmethylcarbamoyl)-6-chloranyl-quinolin-2-yl]piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[5-(1-adamantylmethylcarbamoyl)-6-chloro-2-quinolyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[5-[(1-adamantylmethylamino)-oxomethyl]-6-chloro-2-quinolinyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[5-(1-adamantylmethylcarbamoyl)-6-chloroquinolin-2-yl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[5-(1-adamantylmethylcarbamoyl)-6-chloro-2-quinolyl]-4-piperidyl]acetic acid Formula: C28H34ClN3O3 MolecularWeight: 496.04086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC(=O)O)C2=NC3=C(C=C2)C(=C(C=C3)Cl)C(=O)NCC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCC1CC(=O)O)C2=NC3=C(C=C2)C(=C(C=C3)Cl)C(=O)NCC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H34ClN3O3/c29-22-2-3-23-21(1-4-24(31-23)32-7-5-17(6-8-32)12-25(33)34)26(22)27(35)30-16-28-13-18-9-19(14-28)11-20(10-18)15-28/h1-4,17-20H,5-16H2,(H,30,35)(H,33,34)