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

Systemtic Name: 1-[2-[4-[3-[(4-propoxyphenyl)methyl]-1-benzothiophen-2-yl]phenoxy]ethyl]pyrrolidine Openeye Name: 1-[2-[4-[3-[(4-propoxyphenyl)methyl]benzothiophen-2-yl]phenoxy]ethyl]pyrrolidine CAS Name: 1-[2-[4-[3-[(4-propoxyphenyl)methyl]-1-benzothiophen-2-yl]phenoxy]ethyl]pyrrolidine IUPAC Name: 1-[2-[4-[3-[(4-propoxyphenyl)methyl]-1-benzothiophen-2-yl]phenoxy]ethyl]pyrrolidine Traditional Name: 1-[2-[4-[3-(4-propoxybenzyl)benzothiophen-2-yl]phenoxy]ethyl]pyrrolidine Formula: C30H33NO2S MolecularWeight: 471.65352

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CC2=C(SC3=CC=CC=C32)C4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

CCCOC1=CC=C(C=C1)CC2=C(SC3=CC=CC=C32)C4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C30H33NO2S/c1-2-20-32-25-13-9-23(10-14-25)22-28-27-7-3-4-8-29(27)34-30(28)24-11-15-26(16-12-24)33-21-19-31-17-5-6-18-31/h3-4,7-16H,2,5-6,17-22H2,1H3