[6-oxidanyl-2-(4-propan-2-yloxyphenyl)-1-benzothiophen-3-yl]-[4-[(3-pyrrolidin-1-ylcycloheptyl)methoxy]phenyl]methanone

Systemtic Name: [6-oxidanyl-2-(4-propan-2-yloxyphenyl)-1-benzothiophen-3-yl]-[4-[(3-pyrrolidin-1-ylcycloheptyl)methoxy]phenyl]methanone Openeye Name: [6-hydroxy-2-(4-isopropoxyphenyl)benzothiophen-3-yl]-[4-[(3-pyrrolidin-1-ylcycloheptyl)methoxy]phenyl]methanone CAS Name: [6-hydroxy-2-(4-propan-2-yloxyphenyl)-1-benzothiophen-3-yl]-[4-[[3-(1-pyrrolidinyl)cycloheptyl]methoxy]phenyl]methanone IUPAC Name: [6-hydroxy-2-(4-propan-2-yloxyphenyl)-1-benzothiophen-3-yl]-[4-[(3-pyrrolidin-1-ylcycloheptyl)methoxy]phenyl]methanone Traditional Name: [6-hydroxy-2-(4-isopropoxyphenyl)benzothiophen-3-yl]-[4-[(3-pyrrolidinocycloheptyl)methoxy]phenyl]methanone Formula: C36H41NO4S MolecularWeight: 583.78004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCC5CCCCC(C5)N6CCCC6

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCC5CCCCC(C5)N6CCCC6

InChI

InChI=1S/C36H41NO4S/c1-24(2)41-31-16-11-27(12-17-31)36-34(32-18-13-29(38)22-33(32)42-36)35(39)26-9-14-30(15-10-26)40-23-25-7-3-4-8-28(21-25)37-19-5-6-20-37/h9-18,22,24-25,28,38H,3-8,19-21,23H2,1-2H3