diethyl (2S)-2-[(4-ethynylphenyl)carbonylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[(4-ethynylphenyl)carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[(4-ethynylbenzoyl)amino]pentanedioate CAS Name: (2S)-2-[[(4-ethynylphenyl)-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[(4-ethynylbenzoyl)amino]pentanedioate Traditional Name: (2S)-2-[(4-ethynylbenzoyl)amino]glutaric acid diethyl ester Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO5/c1-4-13-7-9-14(10-8-13)17(21)19-15(18(22)24-6-3)11-12-16(20)23-5-2/h1,7-10,15H,5-6,11-12H2,2-3H3,(H,19,21)/t15-/m0/s1