(phenylmethyl) 15-oxidanylidene-1-oxa-8-azacyclopentadec-9-yne-8-carboxylate

Systemtic Name: (phenylmethyl) 15-oxidanylidene-1-oxa-8-azacyclopentadec-9-yne-8-carboxylate Openeye Name: benzyl 15-oxo-1-oxa-8-azacyclopentadec-9-yne-8-carboxylate CAS Name: 15-oxo-1-oxa-8-azacyclopentadec-9-yne-8-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 15-oxo-1-oxa-8-azacyclopentadec-9-yne-8-carboxylate Traditional Name: 15-keto-1-oxa-8-azacyclopentadec-9-yne-8-carboxylic acid benzyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCOC(=O)CCCCC#CN(CC1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CCCOC(=O)CCCCC#CN(CC1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H27NO4/c23-20-14-8-1-2-9-15-22(16-10-3-4-11-17-25-20)21(24)26-18-19-12-6-5-7-13-19/h5-7,12-13H,1-4,8,10-11,14,16-18H2