2-[[4-(prop-2-ynylamino)phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-(prop-2-ynylamino)phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-(prop-2-ynylamino)benzoyl]amino]pentanedioic acid CAS Name: 2-[[oxo-[4-(prop-2-ynylamino)phenyl]methyl]amino]pentanedioic acid IUPAC Name: 2-[[4-(prop-2-ynylamino)benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-(propargylamino)benzoyl]amino]glutaric acid Formula: C15H16N2O5 MolecularWeight: 304.29794

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C#CCNC1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C15H16N2O5/c1-2-9-16-11-5-3-10(4-6-11)14(20)17-12(15(21)22)7-8-13(18)19/h1,3-6,12,16H,7-9H2,(H,17,20)(H,18,19)(H,21,22)