(phenylmethyl) 13-oxidanylidene-1-oxa-7-azacyclotridec-8-yne-7-carboxylate

Systemtic Name: (phenylmethyl) 13-oxidanylidene-1-oxa-7-azacyclotridec-8-yne-7-carboxylate Openeye Name: benzyl 13-oxo-1-oxa-7-azacyclotridec-8-yne-7-carboxylate CAS Name: 13-oxo-1-oxa-7-azacyclotridec-8-yne-7-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 13-oxo-1-oxa-7-azacyclotridec-8-yne-7-carboxylate Traditional Name: 13-keto-1-oxa-7-azacyclotridec-8-yne-7-carboxylic acid benzyl ester Formula: C19H23NO4 MolecularWeight: 329.39022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C#CCCCC(=O)OCC1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CCN(C#CCCCC(=O)OCC1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H23NO4/c21-18-12-6-2-7-13-20(14-8-3-9-15-23-18)19(22)24-16-17-10-4-1-5-11-17/h1,4-5,10-11H,2-3,6,8-9,12,14-16H2