4,4-bis(azanyl)-4-[2-(2-carboxyethyl)-3-methyl-phenyl]butanoic acid

Systemtic Name: 4,4-bis(azanyl)-4-[2-(2-carboxyethyl)-3-methyl-phenyl]butanoic acid Openeye Name: 4,4-diamino-4-[2-(2-carboxyethyl)-3-methyl-phenyl]butanoic acid CAS Name: 4,4-diamino-4-[2-(2-carboxyethyl)-3-methylphenyl]butanoic acid IUPAC Name: 4,4-diamino-4-[2-(2-carboxyethyl)-3-methylphenyl]butanoic acid Traditional Name: 4,4-diamino-4-[2-(2-carboxyethyl)-3-methyl-phenyl]butyric acid Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(CCC(=O)O)(N)N)CCC(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C(CCC(=O)O)(N)N)CCC(=O)O

InChI

InChI=1S/C14H20N2O4/c1-9-3-2-4-11(10(9)5-6-12(17)18)14(15,16)8-7-13(19)20/h2-4H,5-8,15-16H2,1H3,(H,17,18)(H,19,20)