methyl 2-butyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]carbonyl-1-benzofuran-6-carboxylate

Systemtic Name: methyl 2-butyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]carbonyl-1-benzofuran-6-carboxylate Openeye Name: methyl 2-butyl-3-[4-[3-(1-piperidyl)propoxy]benzoyl]benzofuran-6-carboxylate CAS Name: 2-butyl-3-[oxo-[4-[3-(1-piperidinyl)propoxy]phenyl]methyl]-6-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-3-[4-(3-piperidin-1-ylpropoxy)benzoyl]-1-benzofuran-6-carboxylate Traditional Name: 2-butyl-3-[4-(3-piperidinopropoxy)benzoyl]benzofuran-6-carboxylic acid methyl ester Formula: C29H35NO5 MolecularWeight: 477.5919

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(O1)C=C(C=C2)C(=O)OC)C(=O)C3=CC=C(C=C3)OCCCN4CCCCC4

Isomeric SMILES

CCCCC1=C(C2=C(O1)C=C(C=C2)C(=O)OC)C(=O)C3=CC=C(C=C3)OCCCN4CCCCC4

InChI

InChI=1S/C29H35NO5/c1-3-4-9-25-27(24-15-12-22(29(32)33-2)20-26(24)35-25)28(31)21-10-13-23(14-11-21)34-19-8-18-30-16-6-5-7-17-30/h10-15,20H,3-9,16-19H2,1-2H3