2-[(3,5-dimethyl-2-oxidanyl-phenyl)methylamino]butanedioic acid

Systemtic Name: 2-[(3,5-dimethyl-2-oxidanyl-phenyl)methylamino]butanedioic acid Openeye Name: 2-[(2-hydroxy-3,5-dimethyl-phenyl)methylamino]butanedioic acid CAS Name: 2-[(2-hydroxy-3,5-dimethylphenyl)methylamino]butanedioic acid IUPAC Name: 2-[(2-hydroxy-3,5-dimethylphenyl)methylamino]butanedioic acid Traditional Name: 2-[(2-hydroxy-3,5-dimethyl-benzyl)amino]succinic acid Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CNC(CC(=O)O)C(=O)O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)CNC(CC(=O)O)C(=O)O)O)C

InChI

InChI=1S/C13H17NO5/c1-7-3-8(2)12(17)9(4-7)6-14-10(13(18)19)5-11(15)16/h3-4,10,14,17H,5-6H2,1-2H3,(H,15,16)(H,18,19)