(phenylmethyl) 2-[2,5-dimethyl-3-(phenylcarbonyl)pyrrol-1-yl]propanoate

Systemtic Name: (phenylmethyl) 2-[2,5-dimethyl-3-(phenylcarbonyl)pyrrol-1-yl]propanoate Openeye Name: benzyl 2-(3-benzoyl-2,5-dimethyl-pyrrol-1-yl)propanoate CAS Name: 2-(3-benzoyl-2,5-dimethyl-1-pyrrolyl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-benzoyl-2,5-dimethylpyrrol-1-yl)propanoate Traditional Name: 2-(3-benzoyl-2,5-dimethyl-pyrrol-1-yl)propionic acid benzyl ester Formula: C23H23NO3 MolecularWeight: 361.43362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C(=O)OCC2=CC=CC=C2)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C(C)C(=O)OCC2=CC=CC=C2)C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H23NO3/c1-16-14-21(22(25)20-12-8-5-9-13-20)17(2)24(16)18(3)23(26)27-15-19-10-6-4-7-11-19/h4-14,18H,15H2,1-3H3