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

Systemtic Name: 4-azanyl-2-[[3-(4-methoxyphenyl)-3-oxidanylidene-propyl]azaniumyl]-4-oxidanylidene-butanoate Openeye Name: 4-amino-2-[[3-(4-methoxyphenyl)-3-oxo-propyl]ammonio]-4-oxo-butanoate CAS Name: 4-amino-2-[[3-(4-methoxyphenyl)-3-oxopropyl]ammonio]-4-oxobutanoate IUPAC Name: 4-amino-2-[[3-(4-methoxyphenyl)-3-oxopropyl]azaniumyl]-4-oxobutanoate Traditional Name: 4-amino-4-keto-2-[[3-keto-3-(4-methoxyphenyl)propyl]ammonio]butyrate Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CC[NH2+]C(CC(=O)N)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CC[NH2+]C(CC(=O)N)C(=O)[O-]

InChI

InChI=1S/C14H18N2O5/c1-21-10-4-2-9(3-5-10)12(17)6-7-16-11(14(19)20)8-13(15)18/h2-5,11,16H,6-8H2,1H3,(H2,15,18)(H,19,20)