(phenylmethyl) (2S)-1-(3,4-dimethoxyphenyl)carbonyl-5-oxidanylidene-pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-(3,4-dimethoxyphenyl)carbonyl-5-oxidanylidene-pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-(3,4-dimethoxybenzoyl)-5-oxo-pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(3,4-dimethoxyphenyl)-oxomethyl]-5-oxo-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-(3,4-dimethoxybenzoyl)-5-oxopyrrolidine-2-carboxylate Traditional Name: (2S)-5-keto-1-veratroyl-pyrrolidine-2-carboxylic acid benzyl ester Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2C(CCC2=O)C(=O)OCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2[C@@H](CCC2=O)C(=O)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H21NO6/c1-26-17-10-8-15(12-18(17)27-2)20(24)22-16(9-11-19(22)23)21(25)28-13-14-6-4-3-5-7-14/h3-8,10,12,16H,9,11,13H2,1-2H3/t16-/m0/s1