dimethyl 2-[(4-ethynylphenyl)carbonylamino]pentanedioate

Systemtic Name: dimethyl 2-[(4-ethynylphenyl)carbonylamino]pentanedioate Openeye Name: dimethyl 2-[(4-ethynylbenzoyl)amino]pentanedioate CAS Name: 2-[[(4-ethynylphenyl)-oxomethyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(4-ethynylbenzoyl)amino]pentanedioate Traditional Name: 2-[(4-ethynylbenzoyl)amino]glutaric acid dimethyl ester Formula: C16H17NO5 MolecularWeight: 303.30988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C(=O)OC)NC(=O)C1=CC=C(C=C1)C#C

Isomeric SMILES

COC(=O)CCC(C(=O)OC)NC(=O)C1=CC=C(C=C1)C#C

InChI

InChI=1S/C16H17NO5/c1-4-11-5-7-12(8-6-11)15(19)17-13(16(20)22-3)9-10-14(18)21-2/h1,5-8,13H,9-10H2,2-3H3,(H,17,19)