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

Systemtic Name: 4-[6-methoxy-3-[[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophen-2-yl]phenol Openeye Name: 4-[6-methoxy-3-[[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzothiophen-2-yl]phenol CAS Name: 4-[6-methoxy-3-[[3-methyl-4-(1-pyrrolidinylmethyl)phenyl]methyl]-1-benzothiophen-2-yl]phenol IUPAC Name: 4-[6-methoxy-3-[[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophen-2-yl]phenol Traditional Name: 4-[6-methoxy-3-[3-methyl-4-(pyrrolidinomethyl)benzyl]benzothiophen-2-yl]phenol Formula: C28H29NO2S MolecularWeight: 443.60036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC2=C(SC3=C2C=CC(=C3)OC)C4=CC=C(C=C4)O)CN5CCCC5

Isomeric SMILES

CC1=C(C=CC(=C1)CC2=C(SC3=C2C=CC(=C3)OC)C4=CC=C(C=C4)O)CN5CCCC5

InChI

InChI=1S/C28H29NO2S/c1-19-15-20(5-6-22(19)18-29-13-3-4-14-29)16-26-25-12-11-24(31-2)17-27(25)32-28(26)21-7-9-23(30)10-8-21/h5-12,15,17,30H,3-4,13-14,16,18H2,1-2H3