phenylmethoxycarbonylamino 3-methyl-2-oxidanylidene-tridecanoate

Systemtic Name: phenylmethoxycarbonylamino 3-methyl-2-oxidanylidene-tridecanoate Openeye Name: benzyloxycarbonylamino 3-methyl-2-oxo-tridecanoate CAS Name: 3-methyl-2-oxotridecanoic acid phenylmethoxycarbonylamino ester IUPAC Name: phenylmethoxycarbonylamino 3-methyl-2-oxotridecanoate Traditional Name: 2-keto-3-methyl-tridecanoic acid benzyloxycarbonylamino ester Formula: C22H33NO5 MolecularWeight: 391.50112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)C(=O)C(=O)ONC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCC(C)C(=O)C(=O)ONC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C22H33NO5/c1-3-4-5-6-7-8-9-11-14-18(2)20(24)21(25)28-23-22(26)27-17-19-15-12-10-13-16-19/h10,12-13,15-16,18H,3-9,11,14,17H2,1-2H3,(H,23,26)