(phenylmethyl) 19-oxidanylidene-1-oxa-8-azacyclononadec-9-yne-8-carboxylate

Systemtic Name: (phenylmethyl) 19-oxidanylidene-1-oxa-8-azacyclononadec-9-yne-8-carboxylate Openeye Name: benzyl 19-oxo-1-oxa-8-azacyclononadec-9-yne-8-carboxylate CAS Name: 19-oxo-1-oxa-8-azacyclononadec-9-yne-8-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 19-oxo-1-oxa-8-azacyclononadec-9-yne-8-carboxylate Traditional Name: 19-keto-1-oxa-8-azacyclononadec-9-yne-8-carboxylic acid benzyl ester Formula: C25H35NO4 MolecularWeight: 413.5497

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCC(=O)OCCCCCCN(C#CCCC1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CCCCC(=O)OCCCCCCN(C#CCCC1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H35NO4/c27-24-18-12-5-3-1-2-4-6-13-19-26(20-14-7-8-15-21-29-24)25(28)30-22-23-16-10-9-11-17-23/h9-11,16-17H,1-8,12,14-15,18,20-22H2