(phenylmethyl) 2-[[(2Z)-2-(dimethylaminomethylidene)-4-methyl-3-oxidanylidene-pentanoyl]oxymethyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[(2Z)-2-(dimethylaminomethylidene)-4-methyl-3-oxidanylidene-pentanoyl]oxymethyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[[(2Z)-2-(dimethylaminomethylene)-4-methyl-3-oxo-pentanoyl]oxymethyl]pyrrolidine-1-carboxylate CAS Name: 2-[[(2Z)-2-(dimethylaminomethylidene)-4-methyl-1,3-dioxopentoxy]methyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[(2Z)-2-(dimethylaminomethylidene)-4-methyl-3-oxopentanoyl]oxymethyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[(Z)-3-(dimethylamino)-2-isobutyryl-acryloyl]oxymethyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C22H30N2O5 MolecularWeight: 402.484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O5/c1-16(2)20(25)19(13-23(3)4)21(26)28-15-18-11-8-12-24(18)22(27)29-14-17-9-6-5-7-10-17/h5-7,9-10,13,16,18H,8,11-12,14-15H2,1-4H3/b19-13-