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

Systemtic Name: 3-[1-[4-(imidazol-1-ylmethyl)phenyl]-5-oxidanylidene-pyrrolidin-3-yl]-2-methoxy-benzoic acid Openeye Name: 3-[1-[4-(imidazol-1-ylmethyl)phenyl]-5-oxo-pyrrolidin-3-yl]-2-methoxy-benzoic acid CAS Name: 3-[1-[4-(1-imidazolylmethyl)phenyl]-5-oxo-3-pyrrolidinyl]-2-methoxybenzoic acid IUPAC Name: 3-[1-[4-(imidazol-1-ylmethyl)phenyl]-5-oxopyrrolidin-3-yl]-2-methoxybenzoic acid Traditional Name: 3-[1-[4-(imidazol-1-ylmethyl)phenyl]-5-keto-pyrrolidin-3-yl]-2-methoxy-benzoic acid Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=C1C2CC(=O)N(C2)C3=CC=C(C=C3)CN4C=CN=C4)C(=O)O

Isomeric SMILES

COC1=C(C=CC=C1C2CC(=O)N(C2)C3=CC=C(C=C3)CN4C=CN=C4)C(=O)O

InChI

InChI=1S/C22H21N3O4/c1-29-21-18(3-2-4-19(21)22(27)28)16-11-20(26)25(13-16)17-7-5-15(6-8-17)12-24-10-9-23-14-24/h2-10,14,16H,11-13H2,1H3,(H,27,28)