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

Systemtic Name: 2-(4-aminophenyl)-3-[(3-methoxy-4-pyrrolidin-1-yl-phenyl)methyl]-1-benzothiophen-6-ol Openeye Name: 2-(4-aminophenyl)-3-[(3-methoxy-4-pyrrolidin-1-yl-phenyl)methyl]benzothiophen-6-ol CAS Name: 2-(4-aminophenyl)-3-[[3-methoxy-4-(1-pyrrolidinyl)phenyl]methyl]-1-benzothiophen-6-ol IUPAC Name: 2-(4-aminophenyl)-3-[(3-methoxy-4-pyrrolidin-1-ylphenyl)methyl]-1-benzothiophen-6-ol Traditional Name: 2-(4-aminophenyl)-3-(3-methoxy-4-pyrrolidino-benzyl)benzothiophen-6-ol Formula: C26H26N2O2S MolecularWeight: 430.56184

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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)N5CCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)CC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)N)N5CCCC5

InChI

InChI=1S/C26H26N2O2S/c1-30-24-15-17(4-11-23(24)28-12-2-3-13-28)14-22-21-10-9-20(29)16-25(21)31-26(22)18-5-7-19(27)8-6-18/h4-11,15-16,29H,2-3,12-14,27H2,1H3