1-[[6-[[4-(4-chlorophenyl)phenyl]carbonylamino]quinolin-2-yl]methyl]pyrrolidine-2-carboxylate

Systemtic Name: 1-[[6-[[4-(4-chlorophenyl)phenyl]carbonylamino]quinolin-2-yl]methyl]pyrrolidine-2-carboxylate Openeye Name: 1-[[6-[[4-(4-chlorophenyl)benzoyl]amino]-2-quinolyl]methyl]pyrrolidine-2-carboxylate CAS Name: 1-[[6-[[[4-(4-chlorophenyl)phenyl]-oxomethyl]amino]-2-quinolinyl]methyl]-2-pyrrolidinecarboxylate IUPAC Name: 1-[[6-[[4-(4-chlorophenyl)benzoyl]amino]quinolin-2-yl]methyl]pyrrolidine-2-carboxylate Traditional Name: 1-[[6-[[4-(4-chlorophenyl)benzoyl]amino]-2-quinolyl]methyl]pyrrolidine-2-carboxylate Formula: C28H23ClN3O3- MolecularWeight: 484.95352

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=NC3=C(C=C2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)Cl)C(=O)[O-]

Isomeric SMILES

C1CC(N(C1)CC2=NC3=C(C=C2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)Cl)C(=O)[O-]

InChI

InChI=1S/C28H24ClN3O3/c29-22-10-7-19(8-11-22)18-3-5-20(6-4-18)27(33)31-23-13-14-25-21(16-23)9-12-24(30-25)17-32-15-1-2-26(32)28(34)35/h3-14,16,26H,1-2,15,17H2,(H,31,33)(H,34,35)/p-1