(phenylmethyl) 3,5-dimethyl-4-[2-oxidanylidene-2-[(2S)-pent-4-en-2-yl]oxy-ethyl]-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 3,5-dimethyl-4-[2-oxidanylidene-2-[(2S)-pent-4-en-2-yl]oxy-ethyl]-1H-pyrrole-2-carboxylate Openeye Name: benzyl 3,5-dimethyl-4-[2-[(1S)-1-methylbut-3-enoxy]-2-oxo-ethyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[2-oxo-2-[(2S)-pent-4-en-2-yl]oxyethyl]-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3,5-dimethyl-4-[2-oxo-2-[(2S)-pent-4-en-2-yl]oxyethyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-keto-2-[(1S)-1-methylbut-3-enoxy]ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CC(=O)OC(C)CC=C)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1CC(=O)O[C@@H](C)CC=C)C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H25NO4/c1-5-9-14(2)26-19(23)12-18-15(3)20(22-16(18)4)21(24)25-13-17-10-7-6-8-11-17/h5-8,10-11,14,22H,1,9,12-13H2,2-4H3/t14-/m0/s1