[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 3-(3-bromanyl-4-methoxy-phenyl)propanoate

Systemtic Name: [4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 3-(3-bromanyl-4-methoxy-phenyl)propanoate Openeye Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(3-bromo-4-methoxy-phenyl)propanoate CAS Name: 3-(3-bromo-4-methoxyphenyl)propanoic acid [4-(2-oxo-1-pyrrolidinyl)phenyl] ester IUPAC Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(3-bromo-4-methoxyphenyl)propanoate Traditional Name: 3-(3-bromo-4-methoxy-phenyl)propionic acid [4-(2-ketopyrrolidino)phenyl] ester Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)OC2=CC=C(C=C2)N3CCCC3=O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)OC2=CC=C(C=C2)N3CCCC3=O)Br

InChI

InChI=1S/C20H20BrNO4/c1-25-18-10-4-14(13-17(18)21)5-11-20(24)26-16-8-6-15(7-9-16)22-12-2-3-19(22)23/h4,6-10,13H,2-3,5,11-12H2,1H3