3-azaniumyl-4-[[1-methoxy-3-(3-methoxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 3-azaniumyl-4-[[1-methoxy-3-(3-methoxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-azaniumyl-4-[[2-methoxy-1-[(3-methoxyphenyl)methyl]-2-oxo-ethyl]amino]-4-oxo-butanoate CAS Name: 3-ammonio-4-[[1-methoxy-3-(3-methoxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoate IUPAC Name: 3-azaniumyl-4-[[1-methoxy-3-(3-methoxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoate Traditional Name: 3-ammonio-4-keto-4-[(2-keto-1-m-anisyl-2-methoxy-ethyl)amino]butyrate Formula: C15H20N2O6 MolecularWeight: 324.3291

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(C(=O)OC)NC(=O)C(CC(=O)[O-])[NH3+]

Isomeric SMILES

COC1=CC=CC(=C1)CC(C(=O)OC)NC(=O)C(CC(=O)[O-])[NH3+]

InChI

InChI=1S/C15H20N2O6/c1-22-10-5-3-4-9(6-10)7-12(15(21)23-2)17-14(20)11(16)8-13(18)19/h3-6,11-12H,7-8,16H2,1-2H3,(H,17,20)(H,18,19)