methyl 4-[1-[4-(bromomethyl)phenyl]-5-oxidanylidene-pyrrolidin-3-yl]-2-methoxy-benzoate

Systemtic Name: methyl 4-[1-[4-(bromomethyl)phenyl]-5-oxidanylidene-pyrrolidin-3-yl]-2-methoxy-benzoate Openeye Name: methyl 4-[1-[4-(bromomethyl)phenyl]-5-oxo-pyrrolidin-3-yl]-2-methoxy-benzoate CAS Name: 4-[1-[4-(bromomethyl)phenyl]-5-oxo-3-pyrrolidinyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[1-[4-(bromomethyl)phenyl]-5-oxopyrrolidin-3-yl]-2-methoxybenzoate Traditional Name: 4-[1-[4-(bromomethyl)phenyl]-5-keto-pyrrolidin-3-yl]-2-methoxy-benzoic acid methyl ester Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2CC(=O)N(C2)C3=CC=C(C=C3)CBr)C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C2CC(=O)N(C2)C3=CC=C(C=C3)CBr)C(=O)OC

InChI

InChI=1S/C20H20BrNO4/c1-25-18-9-14(5-8-17(18)20(24)26-2)15-10-19(23)22(12-15)16-6-3-13(11-21)4-7-16/h3-9,15H,10-12H2,1-2H3