(phenylmethyl) (2S)-2-[(3-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[(3-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[3-(4-pyridyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[oxo-(3-pyridin-4-ylanilino)methyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(3-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[3-(4-pyridyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C24H23N3O3 MolecularWeight: 401.45772

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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=CC=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O3/c28-23(26-21-9-4-8-20(16-21)19-11-13-25-14-12-19)22-10-5-15-27(22)24(29)30-17-18-6-2-1-3-7-18/h1-4,6-9,11-14,16,22H,5,10,15,17H2,(H,26,28)/t22-/m0/s1