(phenylmethyl) (2S)-2-[(3-quinolin-3-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[(3-quinolin-3-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[3-(3-quinolyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[oxo-[3-(3-quinolinyl)anilino]methyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(3-quinolin-3-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[3-(3-quinolyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C28H25N3O3 MolecularWeight: 451.5164

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C28H25N3O3/c32-27(26-14-7-15-31(26)28(33)34-19-20-8-2-1-3-9-20)30-24-12-6-11-21(17-24)23-16-22-10-4-5-13-25(22)29-18-23/h1-6,8-13,16-18,26H,7,14-15,19H2,(H,30,32)/t26-/m0/s1