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

Systemtic Name: 2-[4-[6-chloranyl-5-(cyclohexylmethylcarbamoyl)quinolin-2-yl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[6-chloro-5-(cyclohexylmethylcarbamoyl)-2-quinolyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[6-chloro-5-[(cyclohexylmethylamino)-oxomethyl]-2-quinolinyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[6-chloro-5-(cyclohexylmethylcarbamoyl)quinolin-2-yl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[6-chloro-5-(cyclohexylmethylcarbamoyl)-2-quinolyl]piperazino]acetic acid Formula: C23H29ClN4O3 MolecularWeight: 444.95436

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)C2=C(C=CC3=C2C=CC(=N3)N4CCN(CC4)CC(=O)O)Cl

Isomeric SMILES

C1CCC(CC1)CNC(=O)C2=C(C=CC3=C2C=CC(=N3)N4CCN(CC4)CC(=O)O)Cl

InChI

InChI=1S/C23H29ClN4O3/c24-18-7-8-19-17(22(18)23(31)25-14-16-4-2-1-3-5-16)6-9-20(26-19)28-12-10-27(11-13-28)15-21(29)30/h6-9,16H,1-5,10-15H2,(H,25,31)(H,29,30)