3-[4-(2-imidazol-1-ylethoxy)-5-oxidanylidene-1-phenyl-pyrrolidin-3-yl]-2-methoxy-benzoic acid

Systemtic Name: 3-[4-(2-imidazol-1-ylethoxy)-5-oxidanylidene-1-phenyl-pyrrolidin-3-yl]-2-methoxy-benzoic acid Openeye Name: 3-[4-(2-imidazol-1-ylethoxy)-5-oxo-1-phenyl-pyrrolidin-3-yl]-2-methoxy-benzoic acid CAS Name: 3-[4-[2-(1-imidazolyl)ethoxy]-5-oxo-1-phenyl-3-pyrrolidinyl]-2-methoxybenzoic acid IUPAC Name: 3-[4-(2-imidazol-1-ylethoxy)-5-oxo-1-phenylpyrrolidin-3-yl]-2-methoxybenzoic acid Traditional Name: 3-[4-(2-imidazol-1-ylethoxy)-5-keto-1-phenyl-pyrrolidin-3-yl]-2-methoxy-benzoic acid Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=C1C2CN(C(=O)C2OCCN3C=CN=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=C(C=CC=C1C2CN(C(=O)C2OCCN3C=CN=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H23N3O5/c1-30-20-17(8-5-9-18(20)23(28)29)19-14-26(16-6-3-2-4-7-16)22(27)21(19)31-13-12-25-11-10-24-15-25/h2-11,15,19,21H,12-14H2,1H3,(H,28,29)