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

Systemtic Name: 4-[6-chloranyl-5-(2-cyclohexylethanoylamino)quinolin-2-yl]butanoic acid Openeye Name: 4-[6-chloro-5-[(2-cyclohexylacetyl)amino]-2-quinolyl]butanoic acid CAS Name: 4-[6-chloro-5-[(2-cyclohexyl-1-oxoethyl)amino]-2-quinolinyl]butanoic acid IUPAC Name: 4-[6-chloro-5-[(2-cyclohexylacetyl)amino]quinolin-2-yl]butanoic acid Traditional Name: 4-[6-chloro-5-[(2-cyclohexylacetyl)amino]-2-quinolyl]butyric acid Formula: C21H25ClN2O3 MolecularWeight: 388.8878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O3/c22-17-11-12-18-16(10-9-15(23-18)7-4-8-20(26)27)21(17)24-19(25)13-14-5-2-1-3-6-14/h9-12,14H,1-8,13H2,(H,24,25)(H,26,27)