2-(phenylmethoxycarbonylamino)ethyl (2Z)-2-(dimethylaminomethylidene)-5-methyl-3-oxidanylidene-hexanoate

Systemtic Name: 2-(phenylmethoxycarbonylamino)ethyl (2Z)-2-(dimethylaminomethylidene)-5-methyl-3-oxidanylidene-hexanoate Openeye Name: 2-(benzyloxycarbonylamino)ethyl (2Z)-2-(dimethylaminomethylene)-5-methyl-3-oxo-hexanoate CAS Name: (2Z)-2-(dimethylaminomethylidene)-5-methyl-3-oxohexanoic acid 2-(phenylmethoxycarbonylamino)ethyl ester IUPAC Name: 2-(phenylmethoxycarbonylamino)ethyl (2Z)-2-(dimethylaminomethylidene)-5-methyl-3-oxohexanoate Traditional Name: (Z)-3-(dimethylamino)-2-isovaleryl-acrylic acid 2-(benzyloxycarbonylamino)ethyl ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C(=CN(C)C)C(=O)OCCNC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)CC(=O)/C(=C/N(C)C)/C(=O)OCCNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C20H28N2O5/c1-15(2)12-18(23)17(13-22(3)4)19(24)26-11-10-21-20(25)27-14-16-8-6-5-7-9-16/h5-9,13,15H,10-12,14H2,1-4H3,(H,21,25)/b17-13-