4-[[1-[4-(imidazol-1-ylmethyl)phenyl]-5-oxidanylidene-pyrrolidin-3-yl]methoxy]benzoic acid

Systemtic Name: 4-[[1-[4-(imidazol-1-ylmethyl)phenyl]-5-oxidanylidene-pyrrolidin-3-yl]methoxy]benzoic acid Openeye Name: 4-[[1-[4-(imidazol-1-ylmethyl)phenyl]-5-oxo-pyrrolidin-3-yl]methoxy]benzoic acid CAS Name: 4-[[1-[4-(1-imidazolylmethyl)phenyl]-5-oxo-3-pyrrolidinyl]methoxy]benzoic acid IUPAC Name: 4-[[1-[4-(imidazol-1-ylmethyl)phenyl]-5-oxopyrrolidin-3-yl]methoxy]benzoic acid Traditional Name: 4-[[1-[4-(imidazol-1-ylmethyl)phenyl]-5-keto-pyrrolidin-3-yl]methoxy]benzoic acid Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC=C(C=C2)CN3C=CN=C3)COC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1C(CN(C1=O)C2=CC=C(C=C2)CN3C=CN=C3)COC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H21N3O4/c26-21-11-17(14-29-20-7-3-18(4-8-20)22(27)28)13-25(21)19-5-1-16(2-6-19)12-24-10-9-23-15-24/h1-10,15,17H,11-14H2,(H,27,28)