5-[[(4-methoxyphenyl)methyl-(phenylmethyl)azaniumyl]methyl]furan-2-carboxylate

Systemtic Name: 5-[[(4-methoxyphenyl)methyl-(phenylmethyl)azaniumyl]methyl]furan-2-carboxylate Openeye Name: 5-[[benzyl-[(4-methoxyphenyl)methyl]ammonio]methyl]furan-2-carboxylate CAS Name: 5-[[(4-methoxyphenyl)methyl-(phenylmethyl)ammonio]methyl]-2-furancarboxylate IUPAC Name: 5-[[benzyl-[(4-methoxyphenyl)methyl]azaniumyl]methyl]furan-2-carboxylate Traditional Name: 5-[[benzyl(p-anisyl)ammonio]methyl]-2-furoate Formula: C21H21NO4 MolecularWeight: 351.39574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+](CC2=CC=CC=C2)CC3=CC=C(O3)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+](CC2=CC=CC=C2)CC3=CC=C(O3)C(=O)[O-]

InChI

InChI=1S/C21H21NO4/c1-25-18-9-7-17(8-10-18)14-22(13-16-5-3-2-4-6-16)15-19-11-12-20(26-19)21(23)24/h2-12H,13-15H2,1H3,(H,23,24)