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

Systemtic Name: 3-[[6-chloranyl-5-(2-cyclohexylethanoylamino)quinolin-2-yl]amino]propanoic acid Openeye Name: 3-[[6-chloro-5-[(2-cyclohexylacetyl)amino]-2-quinolyl]amino]propanoic acid CAS Name: 3-[[6-chloro-5-[(2-cyclohexyl-1-oxoethyl)amino]-2-quinolinyl]amino]propanoic acid IUPAC Name: 3-[[6-chloro-5-[(2-cyclohexylacetyl)amino]quinolin-2-yl]amino]propanoic acid Traditional Name: 3-[[6-chloro-5-[(2-cyclohexylacetyl)amino]-2-quinolyl]amino]propionic acid Formula: C20H24ClN3O3 MolecularWeight: 389.87586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(=O)NC2=C(C=CC3=C2C=CC(=N3)NCCC(=O)O)Cl

Isomeric SMILES

C1CCC(CC1)CC(=O)NC2=C(C=CC3=C2C=CC(=N3)NCCC(=O)O)Cl

InChI

InChI=1S/C20H24ClN3O3/c21-15-7-8-16-14(6-9-17(23-16)22-11-10-19(26)27)20(15)24-18(25)12-13-4-2-1-3-5-13/h6-9,13H,1-5,10-12H2,(H,22,23)(H,24,25)(H,26,27)