tert-butyl 5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentadecanoate

Systemtic Name: tert-butyl 5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentadecanoate Openeye Name: tert-butyl 2-(benzyloxycarbonylamino)-5-oxo-pentadecanoate CAS Name: 5-oxo-2-(phenylmethoxycarbonylamino)pentadecanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-oxo-2-(phenylmethoxycarbonylamino)pentadecanoate Traditional Name: 2-(benzyloxycarbonylamino)-5-keto-pentadecanoic acid tert-butyl ester Formula: C27H43NO5 MolecularWeight: 461.63402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=O)CCC(C(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCC(=O)CCC(C(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C27H43NO5/c1-5-6-7-8-9-10-11-15-18-23(29)19-20-24(25(30)33-27(2,3)4)28-26(31)32-21-22-16-13-12-14-17-22/h12-14,16-17,24H,5-11,15,18-21H2,1-4H3,(H,28,31)