[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (3S)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (3S)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (3S)-1-oxo-3-phenyl-isochromane-6-carboxylate CAS Name: (3S)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (3S)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxylate Traditional Name: (3S)-1-keto-3-phenyl-isochroman-6-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C21H17NO5 MolecularWeight: 363.36338

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1=CC2=C(C=C1)C(=O)OC(C2)C3=CC=CC=C3

Isomeric SMILES

C#CCNC(=O)COC(=O)C1=CC2=C(C=C1)C(=O)O[C@@H](C2)C3=CC=CC=C3

InChI

InChI=1S/C21H17NO5/c1-2-10-22-19(23)13-26-20(24)15-8-9-17-16(11-15)12-18(27-21(17)25)14-6-4-3-5-7-14/h1,3-9,11,18H,10,12-13H2,(H,22,23)/t18-/m0/s1