4-[4-[3-(1-benzothiophen-5-ylmethoxy)piperidin-4-yl]phenoxy]-1-phenyl-butan-1-one

Systemtic Name: 4-[4-[3-(1-benzothiophen-5-ylmethoxy)piperidin-4-yl]phenoxy]-1-phenyl-butan-1-one Openeye Name: 4-[4-[3-(benzothiophen-5-ylmethoxy)-4-piperidyl]phenoxy]-1-phenyl-butan-1-one CAS Name: 4-[4-[3-(1-benzothiophen-5-ylmethoxy)-4-piperidinyl]phenoxy]-1-phenyl-1-butanone IUPAC Name: 4-[4-[3-(1-benzothiophen-5-ylmethoxy)piperidin-4-yl]phenoxy]-1-phenylbutan-1-one Traditional Name: 4-[4-[3-(benzothiophen-5-ylmethoxy)-4-piperidyl]phenoxy]-1-phenyl-butan-1-one Formula: C30H31NO3S MolecularWeight: 485.63704

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C1C2=CC=C(C=C2)OCCCC(=O)C3=CC=CC=C3)OCC4=CC5=C(C=C4)SC=C5

Isomeric SMILES

C1CNCC(C1C2=CC=C(C=C2)OCCCC(=O)C3=CC=CC=C3)OCC4=CC5=C(C=C4)SC=C5

InChI

InChI=1S/C30H31NO3S/c32-28(24-5-2-1-3-6-24)7-4-17-33-26-11-9-23(10-12-26)27-14-16-31-20-29(27)34-21-22-8-13-30-25(19-22)15-18-35-30/h1-3,5-6,8-13,15,18-19,27,29,31H,4,7,14,16-17,20-21H2