4-chloranyl-3-(3-cyclohexylpropanoylamino)-2-methyl-benzoic acid

Systemtic Name: 4-chloranyl-3-(3-cyclohexylpropanoylamino)-2-methyl-benzoic acid Openeye Name: 4-chloro-3-(3-cyclohexylpropanoylamino)-2-methyl-benzoic acid CAS Name: 4-chloro-3-[(3-cyclohexyl-1-oxopropyl)amino]-2-methylbenzoic acid IUPAC Name: 4-chloro-3-(3-cyclohexylpropanoylamino)-2-methylbenzoic acid Traditional Name: 4-chloro-3-(3-cyclohexylpropanoylamino)-2-methyl-benzoic acid Formula: C17H22ClNO3 MolecularWeight: 323.81448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1NC(=O)CCC2CCCCC2)Cl)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1NC(=O)CCC2CCCCC2)Cl)C(=O)O

InChI

InChI=1S/C17H22ClNO3/c1-11-13(17(21)22)8-9-14(18)16(11)19-15(20)10-7-12-5-3-2-4-6-12/h8-9,12H,2-7,10H2,1H3,(H,19,20)(H,21,22)