(phenylmethyl) 2-[[(2Z)-2-(dimethylaminomethylidene)-5-methyl-3-oxidanylidene-hexanoyl]oxymethyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[(2Z)-2-(dimethylaminomethylidene)-5-methyl-3-oxidanylidene-hexanoyl]oxymethyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[[(2Z)-2-(dimethylaminomethylene)-5-methyl-3-oxo-hexanoyl]oxymethyl]pyrrolidine-1-carboxylate CAS Name: 2-[[(2Z)-2-(dimethylaminomethylidene)-5-methyl-1,3-dioxohexoxy]methyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[(2Z)-2-(dimethylaminomethylidene)-5-methyl-3-oxohexanoyl]oxymethyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[(Z)-3-(dimethylamino)-2-isovaleryl-acryloyl]oxymethyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C23H32N2O5 MolecularWeight: 416.51058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C(=CN(C)C)C(=O)OCC1CCCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(=O)/C(=C/N(C)C)/C(=O)OCC1CCCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H32N2O5/c1-17(2)13-21(26)20(14-24(3)4)22(27)29-16-19-11-8-12-25(19)23(28)30-15-18-9-6-5-7-10-18/h5-7,9-10,14,17,19H,8,11-13,15-16H2,1-4H3/b20-14-