4-(2-bromanylphenoxy)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]butan-1-one

Systemtic Name: 4-(2-bromanylphenoxy)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]butan-1-one Openeye Name: 4-(2-bromophenoxy)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]butan-1-one CAS Name: 4-(2-bromophenoxy)-1-[2-(3,4-dimethoxyphenyl)-1-pyrrolidinyl]-1-butanone IUPAC Name: 4-(2-bromophenoxy)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]butan-1-one Traditional Name: 4-(2-bromophenoxy)-1-[2-(3,4-dimethoxyphenyl)pyrrolidino]butan-1-one Formula: C22H26BrNO4 MolecularWeight: 448.35014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCCN2C(=O)CCCOC3=CC=CC=C3Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCCN2C(=O)CCCOC3=CC=CC=C3Br)OC

InChI

InChI=1S/C22H26BrNO4/c1-26-20-12-11-16(15-21(20)27-2)18-8-5-13-24(18)22(25)10-6-14-28-19-9-4-3-7-17(19)23/h3-4,7,9,11-12,15,18H,5-6,8,10,13-14H2,1-2H3