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

Systemtic Name: 2-[4-[5-(1-adamantylmethylcarbamoyl)-6-chloranyl-quinolin-2-yl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[5-(1-adamantylmethylcarbamoyl)-6-chloro-2-quinolyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[5-[(1-adamantylmethylamino)-oxomethyl]-6-chloro-2-quinolinyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[5-(1-adamantylmethylcarbamoyl)-6-chloroquinolin-2-yl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[5-(1-adamantylmethylcarbamoyl)-6-chloro-2-quinolyl]piperazino]acetic acid Formula: C27H33ClN4O3 MolecularWeight: 497.02892

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C2=NC3=C(C=C2)C(=C(C=C3)Cl)C(=O)NCC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1CC(=O)O)C2=NC3=C(C=C2)C(=C(C=C3)Cl)C(=O)NCC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H33ClN4O3/c28-21-2-3-22-20(1-4-23(30-22)32-7-5-31(6-8-32)15-24(33)34)25(21)26(35)29-16-27-12-17-9-18(13-27)11-19(10-17)14-27/h1-4,17-19H,5-16H2,(H,29,35)(H,33,34)