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

Systemtic Name: diethyl (2S)-2-[[4-(prop-2-ynylamino)phenyl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[4-(prop-2-ynylamino)benzoyl]amino]pentanedioate CAS Name: (2S)-2-[[oxo-[4-(prop-2-ynylamino)phenyl]methyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[4-(prop-2-ynylamino)benzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[4-(propargylamino)benzoyl]amino]glutaric acid diethyl ester Formula: C19H24N2O5 MolecularWeight: 360.40426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCC#C

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCC#C

InChI

InChI=1S/C19H24N2O5/c1-4-13-20-15-9-7-14(8-10-15)18(23)21-16(19(24)26-6-3)11-12-17(22)25-5-2/h1,7-10,16,20H,5-6,11-13H2,2-3H3,(H,21,23)/t16-/m0/s1