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

Systemtic Name: [2-(4-hydroxyphenyl)-6-phenylmethoxy-1-benzothiophen-3-yl]-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanone Openeye Name: [6-benzyloxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanone CAS Name: [2-(4-hydroxyphenyl)-6-phenylmethoxy-1-benzothiophen-3-yl]-[3-methyl-4-(1-pyrrolidinylmethyl)phenyl]methanone IUPAC Name: [2-(4-hydroxyphenyl)-6-phenylmethoxy-1-benzothiophen-3-yl]-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanone Traditional Name: [6-benzoxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[3-methyl-4-(pyrrolidinomethyl)phenyl]methanone Formula: C34H31NO3S MolecularWeight: 533.67984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)C2=C(SC3=C2C=CC(=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)O)CN6CCCC6

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)C2=C(SC3=C2C=CC(=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)O)CN6CCCC6

InChI

InChI=1S/C34H31NO3S/c1-23-19-26(9-10-27(23)21-35-17-5-6-18-35)33(37)32-30-16-15-29(38-22-24-7-3-2-4-8-24)20-31(30)39-34(32)25-11-13-28(36)14-12-25/h2-4,7-16,19-20,36H,5-6,17-18,21-22H2,1H3