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

Systemtic Name: 4-[[1-[(4-chlorophenyl)carbamoyl]-4-methoxy-pyrrolidin-2-yl]carbonylamino]benzoic acid Openeye Name: 4-[[1-[(4-chlorophenyl)carbamoyl]-4-methoxy-pyrrolidine-2-carbonyl]amino]benzoic acid CAS Name: 4-[[[1-[(4-chloroanilino)-oxomethyl]-4-methoxy-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]benzoic acid Traditional Name: 4-[[1-[(4-chlorophenyl)carbamoyl]-4-methoxy-prolyl]amino]benzoic acid Formula: C20H20ClN3O5 MolecularWeight: 417.8429

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(N(C1)C(=O)NC2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1CC(N(C1)C(=O)NC2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H20ClN3O5/c1-29-16-10-17(18(25)22-14-6-2-12(3-7-14)19(26)27)24(11-16)20(28)23-15-8-4-13(21)5-9-15/h2-9,16-17H,10-11H2,1H3,(H,22,25)(H,23,28)(H,26,27)