methyl 2-butyl-3-[4-(3-piperidin-1-ylprop-1-ynyl)phenyl]carbonyl-1-benzofuran-5-carboxylate

Systemtic Name: methyl 2-butyl-3-[4-(3-piperidin-1-ylprop-1-ynyl)phenyl]carbonyl-1-benzofuran-5-carboxylate Openeye Name: methyl 2-butyl-3-[4-[3-(1-piperidyl)prop-1-ynyl]benzoyl]benzofuran-5-carboxylate CAS Name: 2-butyl-3-[oxo-[4-[3-(1-piperidinyl)prop-1-ynyl]phenyl]methyl]-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-3-[4-(3-piperidin-1-ylprop-1-ynyl)benzoyl]-1-benzofuran-5-carboxylate Traditional Name: 2-butyl-3-[4-(3-piperidinoprop-1-ynyl)benzoyl]benzofuran-5-carboxylic acid methyl ester Formula: C29H31NO4 MolecularWeight: 457.56074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)OC)C(=O)C3=CC=C(C=C3)C#CCN4CCCCC4

Isomeric SMILES

CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)OC)C(=O)C3=CC=C(C=C3)C#CCN4CCCCC4

InChI

InChI=1S/C29H31NO4/c1-3-4-10-26-27(24-20-23(29(32)33-2)15-16-25(24)34-26)28(31)22-13-11-21(12-14-22)9-8-19-30-17-6-5-7-18-30/h11-16,20H,3-7,10,17-19H2,1-2H3