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

Systemtic Name: 3-[[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[4-(2-oxidanyl-3-pyrrolidin-1-yl-propoxy)phenyl]-1-benzothiophen-6-ol Openeye Name: 2-[4-(2-hydroxy-3-pyrrolidin-1-yl-propoxy)phenyl]-3-[[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzothiophen-6-ol CAS Name: 2-[4-[2-hydroxy-3-(1-pyrrolidinyl)propoxy]phenyl]-3-[[3-methyl-4-(1-pyrrolidinylmethyl)phenyl]methyl]-1-benzothiophen-6-ol IUPAC Name: 2-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]-3-[[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophen-6-ol Traditional Name: 2-[4-(2-hydroxy-3-pyrrolidino-propoxy)phenyl]-3-[3-methyl-4-(pyrrolidinomethyl)benzyl]benzothiophen-6-ol Formula: C34H40N2O3S MolecularWeight: 556.758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)OCC(CN5CCCC5)O)CN6CCCC6

Isomeric SMILES

CC1=C(C=CC(=C1)CC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)OCC(CN5CCCC5)O)CN6CCCC6

InChI

InChI=1S/C34H40N2O3S/c1-24-18-25(6-7-27(24)21-35-14-2-3-15-35)19-32-31-13-10-28(37)20-33(31)40-34(32)26-8-11-30(12-9-26)39-23-29(38)22-36-16-4-5-17-36/h6-13,18,20,29,37-38H,2-5,14-17,19,21-23H2,1H3