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

Systemtic Name: 2-[4-(2-imidazol-1-ylethoxy)phenyl]-3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophen-6-ol Openeye Name: 2-[4-(2-imidazol-1-ylethoxy)phenyl]-3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzothiophen-6-ol CAS Name: 2-[4-[2-(1-imidazolyl)ethoxy]phenyl]-3-[[3-methoxy-4-(1-pyrrolidinylmethyl)phenyl]methyl]-1-benzothiophen-6-ol IUPAC Name: 2-[4-(2-imidazol-1-ylethoxy)phenyl]-3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophen-6-ol Traditional Name: 2-[4-(2-imidazol-1-ylethoxy)phenyl]-3-[3-methoxy-4-(pyrrolidinomethyl)benzyl]benzothiophen-6-ol Formula: C32H33N3O3S MolecularWeight: 539.68772

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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)OCCN5C=CN=C5)CN6CCCC6

Isomeric SMILES

COC1=C(C=CC(=C1)CC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)OCCN5C=CN=C5)CN6CCCC6

InChI

InChI=1S/C32H33N3O3S/c1-37-30-19-23(4-5-25(30)21-34-13-2-3-14-34)18-29-28-11-8-26(36)20-31(28)39-32(29)24-6-9-27(10-7-24)38-17-16-35-15-12-33-22-35/h4-12,15,19-20,22,36H,2-3,13-14,16-18,21H2,1H3