3-[4-[[1-(4-nitrophenyl)pyrrolidin-2-yl]methoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid

Systemtic Name: 3-[4-[[1-(4-nitrophenyl)pyrrolidin-2-yl]methoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid Openeye Name: 2-(2-benzoylanilino)-3-[4-[[1-(4-nitrophenyl)pyrrolidin-2-yl]methoxy]phenyl]propanoic acid CAS Name: 2-(2-benzoylanilino)-3-[4-[[1-(4-nitrophenyl)-2-pyrrolidinyl]methoxy]phenyl]propanoic acid IUPAC Name: 2-(2-benzoylanilino)-3-[4-[[1-(4-nitrophenyl)pyrrolidin-2-yl]methoxy]phenyl]propanoic acid Traditional Name: 2-(2-benzoylanilino)-3-[4-[[1-(4-nitrophenyl)pyrrolidin-2-yl]methoxy]phenyl]propionic acid Formula: C33H31N3O6 MolecularWeight: 565.61574

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=CC=C(C=C2)[N+](=O)[O-])COC3=CC=C(C=C3)CC(C(=O)O)NC4=CC=CC=C4C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CC(N(C1)C2=CC=C(C=C2)[N+](=O)[O-])COC3=CC=C(C=C3)CC(C(=O)O)NC4=CC=CC=C4C(=O)C5=CC=CC=C5

InChI

InChI=1S/C33H31N3O6/c37-32(24-7-2-1-3-8-24)29-10-4-5-11-30(29)34-31(33(38)39)21-23-12-18-28(19-13-23)42-22-27-9-6-20-35(27)25-14-16-26(17-15-25)36(40)41/h1-5,7-8,10-19,27,31,34H,6,9,20-22H2,(H,38,39)