[2-(4-hydroxyphenyl)-3-[[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophen-6-yl]oxyiodanuidyl-phenyl-methanone

Systemtic Name: [2-(4-hydroxyphenyl)-3-[[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophen-6-yl]oxyiodanuidyl-phenyl-methanone Openeye Name: [2-(4-hydroxyphenyl)-3-[[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzothiophen-6-yl]oxyiodanuidyl-phenyl-methanone CAS Name: [2-(4-hydroxyphenyl)-3-[[3-methyl-4-(1-pyrrolidinylmethyl)phenyl]methyl]-1-benzothiophen-6-yl]oxyiodanuidyl-phenylmethanone IUPAC Name: [2-(4-hydroxyphenyl)-3-[[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophen-6-yl]oxyiodanuidyl-phenylmethanone Traditional Name: [2-(4-hydroxyphenyl)-3-[3-methyl-4-(pyrrolidinomethyl)benzyl]benzothiophen-6-yl]oxyiodanuidyl-phenyl-methanone Formula: C34H31INO3S- MolecularWeight: 660.58431

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC2=C(SC3=C2C=CC(=C3)O[I-]C(=O)C4=CC=CC=C4)C5=CC=C(C=C5)O)CN6CCCC6

Isomeric SMILES

CC1=C(C=CC(=C1)CC2=C(SC3=C2C=CC(=C3)O[I-]C(=O)C4=CC=CC=C4)C5=CC=C(C=C5)O)CN6CCCC6

InChI

InChI=1S/C34H31INO3S/c1-23-19-24(9-10-27(23)22-36-17-5-6-18-36)20-31-30-16-15-29(39-35-34(38)26-7-3-2-4-8-26)21-32(30)40-33(31)25-11-13-28(37)14-12-25/h2-4,7-16,19,21,37H,5-6,17-18,20,22H2,1H3/q-1