5-[(3-cyclohexylpropanoylamino)methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[(3-cyclohexylpropanoylamino)methyl]-2-methoxy-benzoic acid Openeye Name: 5-[(3-cyclohexylpropanoylamino)methyl]-2-methoxy-benzoic acid CAS Name: 5-[[(3-cyclohexyl-1-oxopropyl)amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[(3-cyclohexylpropanoylamino)methyl]-2-methoxybenzoic acid Traditional Name: 5-[(3-cyclohexylpropanoylamino)methyl]-2-methoxy-benzoic acid Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCC2CCCCC2)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCC2CCCCC2)C(=O)O

InChI

InChI=1S/C18H25NO4/c1-23-16-9-7-14(11-15(16)18(21)22)12-19-17(20)10-8-13-5-3-2-4-6-13/h7,9,11,13H,2-6,8,10,12H2,1H3,(H,19,20)(H,21,22)