(phenylmethyl) 11-oxidanylidene-1-oxa-5-azacycloundec-6-yne-5-carboxylate

Systemtic Name: (phenylmethyl) 11-oxidanylidene-1-oxa-5-azacycloundec-6-yne-5-carboxylate Openeye Name: benzyl 11-oxo-1-oxa-5-azacycloundec-6-yne-5-carboxylate CAS Name: 11-oxo-1-oxa-5-azacycloundec-6-yne-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 11-oxo-1-oxa-5-azacycloundec-6-yne-5-carboxylate Traditional Name: 11-keto-1-oxa-5-azacycloundec-6-yne-5-carboxylic acid benzyl ester Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

C1CC#CN(CCCOC(=O)C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CC#CN(CCCOC(=O)C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H19NO4/c19-16-10-5-2-6-11-18(12-7-13-21-16)17(20)22-14-15-8-3-1-4-9-15/h1,3-4,8-9H,2,5,7,10,12-14H2