2-[[2-methyl-4-(prop-2-ynylamino)phenyl]carbonylamino]pentanedioate

Systemtic Name: 2-[[2-methyl-4-(prop-2-ynylamino)phenyl]carbonylamino]pentanedioate Openeye Name: 2-[[2-methyl-4-(prop-2-ynylamino)benzoyl]amino]pentanedioate CAS Name: 2-[[[2-methyl-4-(prop-2-ynylamino)phenyl]-oxomethyl]amino]pentanedioate IUPAC Name: 2-[[2-methyl-4-(prop-2-ynylamino)benzoyl]amino]pentanedioate Traditional Name: 2-[[2-methyl-4-(propargylamino)benzoyl]amino]glutarate Formula: C16H16N2O5-2 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NCC#C)C(=O)NC(CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)NCC#C)C(=O)NC(CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H18N2O5/c1-3-8-17-11-4-5-12(10(2)9-11)15(21)18-13(16(22)23)6-7-14(19)20/h1,4-5,9,13,17H,6-8H2,2H3,(H,18,21)(H,19,20)(H,22,23)/p-2