5-[[[4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[[4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[4-chloro-3-(2-oxo-1-pyrrolidinyl)phenyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[4-chloro-3-(2-ketopyrrolidino)benzoyl]amino]methyl]-2-methoxy-benzoic acid Formula: C20H19ClN2O5 MolecularWeight: 402.82826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC(=C(C=C2)Cl)N3CCCC3=O)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC(=C(C=C2)Cl)N3CCCC3=O)C(=O)O

InChI

InChI=1S/C20H19ClN2O5/c1-28-17-7-4-12(9-14(17)20(26)27)11-22-19(25)13-5-6-15(21)16(10-13)23-8-2-3-18(23)24/h4-7,9-10H,2-3,8,11H2,1H3,(H,22,25)(H,26,27)