(phenylmethyl) (2S)-1-[4-(phenylmethyl)piperazin-1-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[4-(phenylmethyl)piperazin-1-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-(4-benzylpiperazine-1-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-(4-benzylpiperazine-1-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-benzylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid benzyl ester Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O3/c28-23(30-19-21-10-5-2-6-11-21)22-12-7-13-27(22)24(29)26-16-14-25(15-17-26)18-20-8-3-1-4-9-20/h1-6,8-11,22H,7,12-19H2/t22-/m0/s1