4-[[1-[(4-chlorophenyl)carbamoyl]-4-oxidanyl-pyrrolidin-2-yl]carbonylamino]-3-pyrrolidin-1-yl-benzoic acid

Systemtic Name: 4-[[1-[(4-chlorophenyl)carbamoyl]-4-oxidanyl-pyrrolidin-2-yl]carbonylamino]-3-pyrrolidin-1-yl-benzoic acid Openeye Name: 4-[[1-[(4-chlorophenyl)carbamoyl]-4-hydroxy-pyrrolidine-2-carbonyl]amino]-3-pyrrolidin-1-yl-benzoic acid CAS Name: 4-[[[1-[(4-chloroanilino)-oxomethyl]-4-hydroxy-2-pyrrolidinyl]-oxomethyl]amino]-3-(1-pyrrolidinyl)benzoic acid IUPAC Name: 4-[[1-[(4-chlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-pyrrolidin-1-ylbenzoic acid Traditional Name: 4-[[1-[(4-chlorophenyl)carbamoyl]-4-hydroxy-prolyl]amino]-3-pyrrolidino-benzoic acid Formula: C23H25ClN4O5 MolecularWeight: 472.9214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC(=C2)C(=O)O)NC(=O)C3CC(CN3C(=O)NC4=CC=C(C=C4)Cl)O

Isomeric SMILES

C1CCN(C1)C2=C(C=CC(=C2)C(=O)O)NC(=O)C3CC(CN3C(=O)NC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C23H25ClN4O5/c24-15-4-6-16(7-5-15)25-23(33)28-13-17(29)12-20(28)21(30)26-18-8-3-14(22(31)32)11-19(18)27-9-1-2-10-27/h3-8,11,17,20,29H,1-2,9-10,12-13H2,(H,25,33)(H,26,30)(H,31,32)