O1-methyl O6-(phenylmethyl) (2E,5S)-2-(dimethylaminomethylidene)-3-oxidanylidene-5-(phenylmethoxycarbonylamino)hexanedioate

Systemtic Name: O1-methyl O6-(phenylmethyl) (2E,5S)-2-(dimethylaminomethylidene)-3-oxidanylidene-5-(phenylmethoxycarbonylamino)hexanedioate Openeye Name: O6-benzyl O1-methyl (2E,5S)-5-(benzyloxycarbonylamino)-2-(dimethylaminomethylene)-3-oxo-hexanedioate CAS Name: (2E,5S)-2-(dimethylaminomethylidene)-3-oxo-5-(phenylmethoxycarbonylamino)hexanedioic acid O1-methyl ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 1-O-methyl (2E,5S)-2-(dimethylaminomethylidene)-3-oxo-5-(phenylmethoxycarbonylamino)hexanedioate Traditional Name: (2E,5S)-5-(benzyloxycarbonylamino)-2-(dimethylaminomethylene)-3-keto-adipic acid O6-benzyl ester O1-methyl ester Formula: C25H28N2O7 MolecularWeight: 468.49902

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=C(C(=O)CC(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CN(C)/C=C(\C(=O)C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)/C(=O)OC

InChI

InChI=1S/C25H28N2O7/c1-27(2)15-20(23(29)32-3)22(28)14-21(24(30)33-16-18-10-6-4-7-11-18)26-25(31)34-17-19-12-8-5-9-13-19/h4-13,15,21H,14,16-17H2,1-3H3,(H,26,31)/b20-15+/t21-/m0/s1