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

Systemtic Name: 2-(4-aminophenyl)-3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophen-6-ol Openeye Name: 2-(4-aminophenyl)-3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzothiophen-6-ol CAS Name: 2-(4-aminophenyl)-3-[[3-methoxy-4-(1-pyrrolidinylmethyl)phenyl]methyl]-1-benzothiophen-6-ol IUPAC Name: 2-(4-aminophenyl)-3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophen-6-ol Traditional Name: 2-(4-aminophenyl)-3-[3-methoxy-4-(pyrrolidinomethyl)benzyl]benzothiophen-6-ol Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)N)CN5CCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)CC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)N)CN5CCCC5

InChI

InChI=1S/C27H28N2O2S/c1-31-25-15-18(4-5-20(25)17-29-12-2-3-13-29)14-24-23-11-10-22(30)16-26(23)32-27(24)19-6-8-21(28)9-7-19/h4-11,15-16,30H,2-3,12-14,17,28H2,1H3