4-[4-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methyl-1-benzothiophen-2-yl]phenoxy]butan-1-ol

Systemtic Name: 4-[4-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methyl-1-benzothiophen-2-yl]phenoxy]butan-1-ol Openeye Name: 4-[4-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methyl-benzothiophen-2-yl]phenoxy]butan-1-ol CAS Name: 4-[4-[3-[[3-methoxy-4-(1-pyrrolidinylmethyl)phenyl]methyl]-6-methyl-1-benzothiophen-2-yl]phenoxy]-1-butanol IUPAC Name: 4-[4-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methyl-1-benzothiophen-2-yl]phenoxy]butan-1-ol Traditional Name: 4-[4-[3-[3-methoxy-4-(pyrrolidinomethyl)benzyl]-6-methyl-benzothiophen-2-yl]phenoxy]butan-1-ol Formula: C32H37NO3S MolecularWeight: 515.70608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)OCCCCO)CC4=CC(=C(C=C4)CN5CCCC5)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)OCCCCO)CC4=CC(=C(C=C4)CN5CCCC5)OC

InChI

InChI=1S/C32H37NO3S/c1-23-7-14-28-29(20-24-8-9-26(30(21-24)35-2)22-33-15-3-4-16-33)32(37-31(28)19-23)25-10-12-27(13-11-25)36-18-6-5-17-34/h7-14,19,21,34H,3-6,15-18,20,22H2,1-2H3