(phenylmethyl) (E)-4-oxidanylidene-4-[1-(phenylcarbonyl)pyrrolidin-2-yl]but-2-enoate

Systemtic Name: (phenylmethyl) (E)-4-oxidanylidene-4-[1-(phenylcarbonyl)pyrrolidin-2-yl]but-2-enoate Openeye Name: benzyl (E)-4-(1-benzoylpyrrolidin-2-yl)-4-oxo-but-2-enoate CAS Name: (E)-4-(1-benzoyl-2-pyrrolidinyl)-4-oxo-2-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-4-(1-benzoylpyrrolidin-2-yl)-4-oxobut-2-enoate Traditional Name: (E)-4-(1-benzoylpyrrolidin-2-yl)-4-keto-but-2-enoic acid benzyl ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CC=C2)C(=O)C=CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=CC=C2)C(=O)/C=C/C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H21NO4/c24-20(13-14-21(25)27-16-17-8-3-1-4-9-17)19-12-7-15-23(19)22(26)18-10-5-2-6-11-18/h1-6,8-11,13-14,19H,7,12,15-16H2/b14-13+