methyl 2-[(E)-1-(dimethylamino)-3-oxidanylidene-but-1-en-2-yl]-4,6-bis(phenylmethoxy)benzoate

Systemtic Name: methyl 2-[(E)-1-(dimethylamino)-3-oxidanylidene-but-1-en-2-yl]-4,6-bis(phenylmethoxy)benzoate Openeye Name: methyl 2,4-dibenzyloxy-6-[(1E)-1-(dimethylaminomethylene)-2-oxo-propyl]benzoate CAS Name: 2-[(E)-1-(dimethylamino)-3-oxobut-1-en-2-yl]-4,6-bis(phenylmethoxy)benzoic acid methyl ester IUPAC Name: methyl 2-[(E)-1-(dimethylamino)-3-oxobut-1-en-2-yl]-4,6-bis(phenylmethoxy)benzoate Traditional Name: 2-[(E)-1-acetyl-2-(dimethylamino)vinyl]-4,6-dibenzoxy-benzoic acid methyl ester Formula: C28H29NO5 MolecularWeight: 459.53356

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CN(C)C)C1=CC(=CC(=C1C(=O)OC)OCC2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)/C(=C/N(C)C)/C1=CC(=CC(=C1C(=O)OC)OCC2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C28H29NO5/c1-20(30)25(17-29(2)3)24-15-23(33-18-21-11-7-5-8-12-21)16-26(27(24)28(31)32-4)34-19-22-13-9-6-10-14-22/h5-17H,18-19H2,1-4H3/b25-17-