(phenylmethyl) 2-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[4-(2,5-dimethyl-1-pyrrolyl)anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)NC(=O)C3CCCN3C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)NC(=O)C3CCCN3C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C25H27N3O3/c1-18-10-11-19(2)28(18)22-14-12-21(13-15-22)26-24(29)23-9-6-16-27(23)25(30)31-17-20-7-4-3-5-8-20/h3-5,7-8,10-15,23H,6,9,16-17H2,1-2H3,(H,26,29)