3-[[2-(aminomethyl)-5-carboxy-phenyl]methyl]-4-methoxy-4-oxidanylidene-butanoate

Systemtic Name: 3-[[2-(aminomethyl)-5-carboxy-phenyl]methyl]-4-methoxy-4-oxidanylidene-butanoate Openeye Name: 3-[[2-(aminomethyl)-5-carboxy-phenyl]methyl]-4-methoxy-4-oxo-butanoate CAS Name: 3-[[2-(aminomethyl)-5-carboxyphenyl]methyl]-4-methoxy-4-oxobutanoate IUPAC Name: 3-[[2-(aminomethyl)-5-carboxyphenyl]methyl]-4-methoxy-4-oxobutanoate Traditional Name: 3-[2-(aminomethyl)-5-carboxy-benzyl]-4-keto-4-methoxy-butyrate Formula: C14H16NO6- MolecularWeight: 294.27994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=C(C=CC(=C1)C(=O)O)CN)CC(=O)[O-]

Isomeric SMILES

COC(=O)C(CC1=C(C=CC(=C1)C(=O)O)CN)CC(=O)[O-]

InChI

InChI=1S/C14H17NO6/c1-21-14(20)11(6-12(16)17)5-10-4-8(13(18)19)2-3-9(10)7-15/h2-4,11H,5-7,15H2,1H3,(H,16,17)(H,18,19)/p-1