3-[[1-[6-chloranyl-5-(cyclohexylmethylcarbamoyl)quinolin-2-yl]azetidin-3-yl]amino]propanoic acid

Systemtic Name: 3-[[1-[6-chloranyl-5-(cyclohexylmethylcarbamoyl)quinolin-2-yl]azetidin-3-yl]amino]propanoic acid Openeye Name: 3-[[1-[6-chloro-5-(cyclohexylmethylcarbamoyl)-2-quinolyl]azetidin-3-yl]amino]propanoic acid CAS Name: 3-[[1-[6-chloro-5-[(cyclohexylmethylamino)-oxomethyl]-2-quinolinyl]-3-azetidinyl]amino]propanoic acid IUPAC Name: 3-[[1-[6-chloro-5-(cyclohexylmethylcarbamoyl)quinolin-2-yl]azetidin-3-yl]amino]propanoic acid Traditional Name: 3-[[1-[6-chloro-5-(cyclohexylmethylcarbamoyl)-2-quinolyl]azetidin-3-yl]amino]propionic 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)N4CC(C4)NCCC(=O)O)Cl

Isomeric SMILES

C1CCC(CC1)CNC(=O)C2=C(C=CC3=C2C=CC(=N3)N4CC(C4)NCCC(=O)O)Cl

InChI

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