2-[[3-(4-methoxyphenyl)-3-oxidanylidene-propyl]azaniumyl]-3-oxidanyl-butanoate

Systemtic Name: 2-[[3-(4-methoxyphenyl)-3-oxidanylidene-propyl]azaniumyl]-3-oxidanyl-butanoate Openeye Name: 3-hydroxy-2-[[3-(4-methoxyphenyl)-3-oxo-propyl]ammonio]butanoate CAS Name: 3-hydroxy-2-[[3-(4-methoxyphenyl)-3-oxopropyl]ammonio]butanoate IUPAC Name: 3-hydroxy-2-[[3-(4-methoxyphenyl)-3-oxopropyl]azaniumyl]butanoate Traditional Name: 3-hydroxy-2-[[3-keto-3-(4-methoxyphenyl)propyl]ammonio]butyrate Formula: C14H19NO5 MolecularWeight: 281.30436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[O-])[NH2+]CCC(=O)C1=CC=C(C=C1)OC)O

Isomeric SMILES

CC(C(C(=O)[O-])[NH2+]CCC(=O)C1=CC=C(C=C1)OC)O

InChI

InChI=1S/C14H19NO5/c1-9(16)13(14(18)19)15-8-7-12(17)10-3-5-11(20-2)6-4-10/h3-6,9,13,15-16H,7-8H2,1-2H3,(H,18,19)