diethyl 2-(3-oxidanylideneoctylamino)non-4-ynedioate

Systemtic Name: diethyl 2-(3-oxidanylideneoctylamino)non-4-ynedioate Openeye Name: diethyl 2-(3-oxooctylamino)non-4-ynedioate CAS Name: 2-(3-oxooctylamino)-4-nonynedioic acid diethyl ester IUPAC Name: diethyl 2-(3-oxooctylamino)non-4-ynedioate Traditional Name: 2-(3-ketooctylamino)non-4-ynedioic acid diethyl ester Formula: C21H35NO5 MolecularWeight: 381.5063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)CCNC(CC#CCCCC(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCCC(=O)CCNC(CC#CCCCC(=O)OCC)C(=O)OCC

InChI

InChI=1S/C21H35NO5/c1-4-7-10-13-18(23)16-17-22-19(21(25)27-6-3)14-11-8-9-12-15-20(24)26-5-2/h19,22H,4-7,9-10,12-17H2,1-3H3