(2-butyl-1-benzofuran-3-yl)-[2-oxidanyl-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanone

Systemtic Name: (2-butyl-1-benzofuran-3-yl)-[2-oxidanyl-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanone Openeye Name: (2-butylbenzofuran-3-yl)-[2-hydroxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanone CAS Name: (2-butyl-3-benzofuranyl)-[2-hydroxy-4-[3-(1-pyrrolidinyl)propoxy]phenyl]methanone IUPAC Name: (2-butyl-1-benzofuran-3-yl)-[2-hydroxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanone Traditional Name: (2-butylbenzofuran-3-yl)-[2-hydroxy-4-(3-pyrrolidinopropoxy)phenyl]methanone Formula: C26H31NO4 MolecularWeight: 421.52864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=C(C=C(C=C3)OCCCN4CCCC4)O

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=C(C=C(C=C3)OCCCN4CCCC4)O

InChI

InChI=1S/C26H31NO4/c1-2-3-10-24-25(21-9-4-5-11-23(21)31-24)26(29)20-13-12-19(18-22(20)28)30-17-8-16-27-14-6-7-15-27/h4-5,9,11-13,18,28H,2-3,6-8,10,14-17H2,1H3