2-(4-azanyl-3,5-diethyl-phenyl)-2-oxidanyl-propanedioic acid

Systemtic Name: 2-(4-azanyl-3,5-diethyl-phenyl)-2-oxidanyl-propanedioic acid Openeye Name: 2-(4-amino-3,5-diethyl-phenyl)-2-hydroxy-propanedioic acid CAS Name: 2-(4-amino-3,5-diethylphenyl)-2-hydroxypropanedioic acid IUPAC Name: 2-(4-amino-3,5-diethylphenyl)-2-hydroxypropanedioic acid Traditional Name: 2-(4-amino-3,5-diethyl-phenyl)-2-hydroxy-malonic acid Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1N)CC)C(C(=O)O)(C(=O)O)O

Isomeric SMILES

CCC1=CC(=CC(=C1N)CC)C(C(=O)O)(C(=O)O)O

InChI

InChI=1S/C13H17NO5/c1-3-7-5-9(6-8(4-2)10(7)14)13(19,11(15)16)12(17)18/h5-6,19H,3-4,14H2,1-2H3,(H,15,16)(H,17,18)