3-[(cyclohexylazaniumyl)methyl]-4-methoxy-benzoate

Systemtic Name: 3-[(cyclohexylazaniumyl)methyl]-4-methoxy-benzoate Openeye Name: 3-[(cyclohexylammonio)methyl]-4-methoxy-benzoate CAS Name: 3-[(cyclohexylammonio)methyl]-4-methoxybenzoate IUPAC Name: 3-[(cyclohexylazaniumyl)methyl]-4-methoxybenzoate Traditional Name: 3-[(cyclohexylammonio)methyl]-4-methoxy-benzoate Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)[O-])C[NH2+]C2CCCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[O-])C[NH2+]C2CCCCC2

InChI

InChI=1S/C15H21NO3/c1-19-14-8-7-11(15(17)18)9-12(14)10-16-13-5-3-2-4-6-13/h7-9,13,16H,2-6,10H2,1H3,(H,17,18)