3-(furan-2-yl)-3-[(3-phenoxyphenyl)methylazaniumyl]propanoate

Systemtic Name: 3-(furan-2-yl)-3-[(3-phenoxyphenyl)methylazaniumyl]propanoate Openeye Name: 3-(2-furyl)-3-[(3-phenoxyphenyl)methylammonio]propanoate CAS Name: 3-(2-furanyl)-3-[(3-phenoxyphenyl)methylammonio]propanoate IUPAC Name: 3-(furan-2-yl)-3-[(3-phenoxyphenyl)methylazaniumyl]propanoate Traditional Name: 3-(2-furyl)-3-[(3-phenoxybenzyl)ammonio]propionate Formula: C20H19NO4 MolecularWeight: 337.36916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)C[NH2+]C(CC(=O)[O-])C3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)C[NH2+]C(CC(=O)[O-])C3=CC=CO3

InChI

InChI=1S/C20H19NO4/c22-20(23)13-18(19-10-5-11-24-19)21-14-15-6-4-9-17(12-15)25-16-7-2-1-3-8-16/h1-12,18,21H,13-14H2,(H,22,23)