4-[6-methyl-3-[[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophen-2-yl]phenol

Systemtic Name: 4-[6-methyl-3-[[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophen-2-yl]phenol Openeye Name: 4-[6-methyl-3-[[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzothiophen-2-yl]phenol CAS Name: 4-[6-methyl-3-[[3-methyl-4-(1-pyrrolidinylmethyl)phenyl]methyl]-1-benzothiophen-2-yl]phenol IUPAC Name: 4-[6-methyl-3-[[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophen-2-yl]phenol Traditional Name: 4-[6-methyl-3-[3-methyl-4-(pyrrolidinomethyl)benzyl]benzothiophen-2-yl]phenol Formula: C28H29NOS MolecularWeight: 427.60096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29NOS/c1-19-5-12-25-26(28(31-27(25)15-19)22-8-10-24(30)11-9-22)17-21-6-7-23(20(2)16-21)18-29-13-3-4-14-29/h5-12,15-16,30H,3-4,13-14,17-18H2,1-2H3