2-[[1-(4-phenylmethoxypyrrolidin-2-yl)carbonylpyrrolidin-2-yl]carbonylamino]-3-(phenylmethyl)benzoic acid

Systemtic Name: 2-[[1-(4-phenylmethoxypyrrolidin-2-yl)carbonylpyrrolidin-2-yl]carbonylamino]-3-(phenylmethyl)benzoic acid Openeye Name: 3-benzyl-2-[[1-(4-benzyloxypyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoic acid CAS Name: 2-[[oxo-[1-[oxo-(4-phenylmethoxy-2-pyrrolidinyl)methyl]-2-pyrrolidinyl]methyl]amino]-3-(phenylmethyl)benzoic acid IUPAC Name: 3-benzyl-2-[[1-(4-phenylmethoxypyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoic acid Traditional Name: 2-[[1-(4-benzoxyprolyl)prolyl]amino]-3-benzyl-benzoic acid Formula: C31H33N3O5 MolecularWeight: 527.61082

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CC(CN2)OCC3=CC=CC=C3)C(=O)NC4=C(C=CC=C4CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C2CC(CN2)OCC3=CC=CC=C3)C(=O)NC4=C(C=CC=C4CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C31H33N3O5/c35-29(33-28-23(13-7-14-25(28)31(37)38)17-21-9-3-1-4-10-21)27-15-8-16-34(27)30(36)26-18-24(19-32-26)39-20-22-11-5-2-6-12-22/h1-7,9-14,24,26-27,32H,8,15-20H2,(H,33,35)(H,37,38)