4-[[6-chloranyl-5-(2-cyclohexylethanoylamino)quinolin-2-yl]amino]butanoic acid

Systemtic Name: 4-[[6-chloranyl-5-(2-cyclohexylethanoylamino)quinolin-2-yl]amino]butanoic acid Openeye Name: 4-[[6-chloro-5-[(2-cyclohexylacetyl)amino]-2-quinolyl]amino]butanoic acid CAS Name: 4-[[6-chloro-5-[(2-cyclohexyl-1-oxoethyl)amino]-2-quinolinyl]amino]butanoic acid IUPAC Name: 4-[[6-chloro-5-[(2-cyclohexylacetyl)amino]quinolin-2-yl]amino]butanoic acid Traditional Name: 4-[[6-chloro-5-[(2-cyclohexylacetyl)amino]-2-quinolyl]amino]butyric acid Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O3/c22-16-9-10-17-15(8-11-18(24-17)23-12-4-7-20(27)28)21(16)25-19(26)13-14-5-2-1-3-6-14/h8-11,14H,1-7,12-13H2,(H,23,24)(H,25,26)(H,27,28)