(3S)-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-4-phenethyloxy-butanoate

Systemtic Name: (3S)-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-4-phenethyloxy-butanoate Openeye Name: (3S)-3-(2-furylmethylammonio)-4-oxo-4-phenethyloxy-butanoate CAS Name: (3S)-3-(2-furanylmethylammonio)-4-oxo-4-phenethyloxybutanoate IUPAC Name: (3S)-3-(furan-2-ylmethylazaniumyl)-4-oxo-4-phenethyloxybutanoate Traditional Name: (3S)-3-(2-furfurylammonio)-4-keto-4-phenethyloxy-butyrate Formula: C17H19NO5 MolecularWeight: 317.33646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)C(CC(=O)[O-])[NH2+]CC2=CC=CO2

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)[C@H](CC(=O)[O-])[NH2+]CC2=CC=CO2

InChI

InChI=1S/C17H19NO5/c19-16(20)11-15(18-12-14-7-4-9-22-14)17(21)23-10-8-13-5-2-1-3-6-13/h1-7,9,15,18H,8,10-12H2,(H,19,20)/t15-/m0/s1