8-[(3-chloranyl-4-methyl-phenyl)amino]-2-(methylcarbamoyl)-2-oxidanyl-octanoic acid

Systemtic Name: 8-[(3-chloranyl-4-methyl-phenyl)amino]-2-(methylcarbamoyl)-2-oxidanyl-octanoic acid Openeye Name: 8-(3-chloro-4-methyl-anilino)-2-hydroxy-2-(methylcarbamoyl)octanoic acid CAS Name: 8-(3-chloro-4-methylanilino)-2-hydroxy-2-(methylcarbamoyl)octanoic acid IUPAC Name: 8-(3-chloro-4-methylanilino)-2-hydroxy-2-(methylcarbamoyl)octanoic acid Traditional Name: 8-(3-chloro-4-methyl-anilino)-2-hydroxy-2-(methylcarbamoyl)caprylic acid Formula: C17H25ClN2O4 MolecularWeight: 356.8444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCCCCCCC(C(=O)NC)(C(=O)O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NCCCCCCC(C(=O)NC)(C(=O)O)O)Cl

InChI

InChI=1S/C17H25ClN2O4/c1-12-7-8-13(11-14(12)18)20-10-6-4-3-5-9-17(24,16(22)23)15(21)19-2/h7-8,11,20,24H,3-6,9-10H2,1-2H3,(H,19,21)(H,22,23)