4-[4-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]butan-1-ol

Systemtic Name: 4-[4-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]butan-1-ol Openeye Name: 4-[4-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzothiophen-2-yl]phenoxy]butan-1-ol CAS Name: 4-[4-[3-[[3-methoxy-4-(1-pyrrolidinylmethyl)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]-1-butanol IUPAC Name: 4-[4-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]butan-1-ol Traditional Name: 4-[4-[3-[3-methoxy-4-(pyrrolidinomethyl)benzyl]benzothiophen-2-yl]phenoxy]butan-1-ol Formula: C31H35NO3S MolecularWeight: 501.6795

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC2=C(SC3=CC=CC=C32)C4=CC=C(C=C4)OCCCCO)CN5CCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)CC2=C(SC3=CC=CC=C32)C4=CC=C(C=C4)OCCCCO)CN5CCCC5

InChI

InChI=1S/C31H35NO3S/c1-34-29-21-23(10-11-25(29)22-32-16-4-5-17-32)20-28-27-8-2-3-9-30(27)36-31(28)24-12-14-26(15-13-24)35-19-7-6-18-33/h2-3,8-15,21,33H,4-7,16-20,22H2,1H3