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

Systemtic Name: 3-[[5-(1-adamantylmethylcarbamoyl)-6-chloranyl-quinolin-2-yl]amino]propanoic acid Openeye Name: 3-[[5-(1-adamantylmethylcarbamoyl)-6-chloro-2-quinolyl]amino]propanoic acid CAS Name: 3-[[5-[(1-adamantylmethylamino)-oxomethyl]-6-chloro-2-quinolinyl]amino]propanoic acid IUPAC Name: 3-[[5-(1-adamantylmethylcarbamoyl)-6-chloroquinolin-2-yl]amino]propanoic acid Traditional Name: 3-[[5-(1-adamantylmethylcarbamoyl)-6-chloro-2-quinolyl]amino]propionic acid Formula: C24H28ClN3O3 MolecularWeight: 441.95042

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC5=C4C=CC(=N5)NCCC(=O)O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC5=C4C=CC(=N5)NCCC(=O)O)Cl

InChI

InChI=1S/C24H28ClN3O3/c25-18-2-3-19-17(1-4-20(28-19)26-6-5-21(29)30)22(18)23(31)27-13-24-10-14-7-15(11-24)9-16(8-14)12-24/h1-4,14-16H,5-13H2,(H,26,28)(H,27,31)(H,29,30)