1-[2-[4-[3-[(4-bromanyl-3-methyl-phenyl)methyl]-1-benzothiophen-2-yl]phenoxy]ethyl]pyrrolidine

Systemtic Name: 1-[2-[4-[3-[(4-bromanyl-3-methyl-phenyl)methyl]-1-benzothiophen-2-yl]phenoxy]ethyl]pyrrolidine Openeye Name: 1-[2-[4-[3-[(4-bromo-3-methyl-phenyl)methyl]benzothiophen-2-yl]phenoxy]ethyl]pyrrolidine CAS Name: 1-[2-[4-[3-[(4-bromo-3-methylphenyl)methyl]-1-benzothiophen-2-yl]phenoxy]ethyl]pyrrolidine IUPAC Name: 1-[2-[4-[3-[(4-bromo-3-methylphenyl)methyl]-1-benzothiophen-2-yl]phenoxy]ethyl]pyrrolidine Traditional Name: 1-[2-[4-[3-(4-bromo-3-methyl-benzyl)benzothiophen-2-yl]phenoxy]ethyl]pyrrolidine Formula: C28H28BrNOS MolecularWeight: 506.49702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC2=C(SC3=CC=CC=C32)C4=CC=C(C=C4)OCCN5CCCC5)Br

Isomeric SMILES

CC1=C(C=CC(=C1)CC2=C(SC3=CC=CC=C32)C4=CC=C(C=C4)OCCN5CCCC5)Br

InChI

InChI=1S/C28H28BrNOS/c1-20-18-21(8-13-26(20)29)19-25-24-6-2-3-7-27(24)32-28(25)22-9-11-23(12-10-22)31-17-16-30-14-4-5-15-30/h2-3,6-13,18H,4-5,14-17,19H2,1H3