2-(1-benzothiophen-2-yl)-3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]phenol

Systemtic Name: 2-(1-benzothiophen-2-yl)-3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]phenol Openeye Name: 2-(benzothiophen-2-yl)-3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]phenol CAS Name: 2-(1-benzothiophen-2-yl)-3-[[3-methoxy-4-(1-pyrrolidinylmethyl)phenyl]methyl]phenol IUPAC Name: 2-(1-benzothiophen-2-yl)-3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]phenol Traditional Name: 2-(benzothiophen-2-yl)-3-[3-methoxy-4-(pyrrolidinomethyl)benzyl]phenol Formula: C27H27NO2S MolecularWeight: 429.57378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC2=C(C(=CC=C2)O)C3=CC4=CC=CC=C4S3)CN5CCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)CC2=C(C(=CC=C2)O)C3=CC4=CC=CC=C4S3)CN5CCCC5

InChI

InChI=1S/C27H27NO2S/c1-30-24-16-19(11-12-22(24)18-28-13-4-5-14-28)15-21-8-6-9-23(29)27(21)26-17-20-7-2-3-10-25(20)31-26/h2-3,6-12,16-17,29H,4-5,13-15,18H2,1H3