5-[[cyclohexyl-[(3-methoxyphenyl)methyl]azaniumyl]methyl]furan-2-carboxylate

Systemtic Name: 5-[[cyclohexyl-[(3-methoxyphenyl)methyl]azaniumyl]methyl]furan-2-carboxylate Openeye Name: 5-[[cyclohexyl-[(3-methoxyphenyl)methyl]ammonio]methyl]furan-2-carboxylate CAS Name: 5-[[cyclohexyl-[(3-methoxyphenyl)methyl]ammonio]methyl]-2-furancarboxylate IUPAC Name: 5-[[cyclohexyl-[(3-methoxyphenyl)methyl]azaniumyl]methyl]furan-2-carboxylate Traditional Name: 5-[[cyclohexyl(m-anisyl)ammonio]methyl]-2-furoate Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+](CC2=CC=C(O2)C(=O)[O-])C3CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+](CC2=CC=C(O2)C(=O)[O-])C3CCCCC3

InChI

InChI=1S/C20H25NO4/c1-24-17-9-5-6-15(12-17)13-21(16-7-3-2-4-8-16)14-18-10-11-19(25-18)20(22)23/h5-6,9-12,16H,2-4,7-8,13-14H2,1H3,(H,22,23)