2-azanyl-2-(4-methylphenyl)carbonyl-pentanedioic acid

Systemtic Name: 2-azanyl-2-(4-methylphenyl)carbonyl-pentanedioic acid Openeye Name: 2-amino-2-(4-methylbenzoyl)pentanedioic acid CAS Name: 2-amino-2-[(4-methylphenyl)-oxomethyl]pentanedioic acid IUPAC Name: 2-amino-2-(4-methylbenzoyl)pentanedioic acid Traditional Name: 2-amino-2-p-toluoyl-glutaric acid Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5/c1-8-2-4-9(5-3-8)11(17)13(14,12(18)19)7-6-10(15)16/h2-5H,6-7,14H2,1H3,(H,15,16)(H,18,19)