2-[[4-(1-benzothiophen-2-ylmethoxy)phenyl]-cyclohexyl-methoxy]isoindole-1,3-dione

Systemtic Name: 2-[[4-(1-benzothiophen-2-ylmethoxy)phenyl]-cyclohexyl-methoxy]isoindole-1,3-dione Openeye Name: 2-[[4-(benzothiophen-2-ylmethoxy)phenyl]-cyclohexyl-methoxy]isoindoline-1,3-dione CAS Name: 2-[[4-(1-benzothiophen-2-ylmethoxy)phenyl]-cyclohexylmethoxy]isoindole-1,3-dione IUPAC Name: 2-[[4-(1-benzothiophen-2-ylmethoxy)phenyl]-cyclohexylmethoxy]isoindole-1,3-dione Traditional Name: 2-[[4-(benzothiophen-2-ylmethoxy)phenyl]-cyclohexyl-methoxy]isoindoline-1,3-quinone Formula: C30H27NO4S MolecularWeight: 497.60468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=C(C=C2)OCC3=CC4=CC=CC=C4S3)ON5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1CCC(CC1)C(C2=CC=C(C=C2)OCC3=CC4=CC=CC=C4S3)ON5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C30H27NO4S/c32-29-25-11-5-6-12-26(25)30(33)31(29)35-28(20-8-2-1-3-9-20)21-14-16-23(17-15-21)34-19-24-18-22-10-4-7-13-27(22)36-24/h4-7,10-18,20,28H,1-3,8-9,19H2