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

Systemtic Name: [2-(4-hydroxyphenyl)-6-phenylmethoxy-1-benzothiophen-3-yl]-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methanone Openeye Name: [6-benzyloxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methanone CAS Name: [2-(4-hydroxyphenyl)-6-phenylmethoxy-1-benzothiophen-3-yl]-[3-methoxy-4-(1-pyrrolidinylmethyl)phenyl]methanone IUPAC Name: [2-(4-hydroxyphenyl)-6-phenylmethoxy-1-benzothiophen-3-yl]-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methanone Traditional Name: [6-benzoxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[3-methoxy-4-(pyrrolidinomethyl)phenyl]methanone Formula: C34H31NO4S MolecularWeight: 549.67924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C34H31NO4S/c1-38-30-19-25(9-10-26(30)21-35-17-5-6-18-35)33(37)32-29-16-15-28(39-22-23-7-3-2-4-8-23)20-31(29)40-34(32)24-11-13-27(36)14-12-24/h2-4,7-16,19-20,36H,5-6,17-18,21-22H2,1H3