2-azanyl-5-methyl-3-piperazin-1-ylcarbonyl-benzoic acid

Systemtic Name: 2-azanyl-5-methyl-3-piperazin-1-ylcarbonyl-benzoic acid Openeye Name: 2-amino-5-methyl-3-(piperazine-1-carbonyl)benzoic acid CAS Name: 2-amino-5-methyl-3-[oxo(1-piperazinyl)methyl]benzoic acid IUPAC Name: 2-amino-5-methyl-3-(piperazine-1-carbonyl)benzoic acid Traditional Name: 2-amino-5-methyl-3-(piperazine-1-carbonyl)benzoic acid Formula: C13H17N3O3 MolecularWeight: 263.29238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)N2CCNCC2)N)C(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)N2CCNCC2)N)C(=O)O

InChI

InChI=1S/C13H17N3O3/c1-8-6-9(11(14)10(7-8)13(18)19)12(17)16-4-2-15-3-5-16/h6-7,15H,2-5,14H2,1H3,(H,18,19)