methyl 2-butyl-3-[4-[2-(dibutylamino)ethyl]phenyl]carbonyl-1-benzofuran-5-carboxylate

Systemtic Name: methyl 2-butyl-3-[4-[2-(dibutylamino)ethyl]phenyl]carbonyl-1-benzofuran-5-carboxylate Openeye Name: methyl 2-butyl-3-[4-[2-(dibutylamino)ethyl]benzoyl]benzofuran-5-carboxylate CAS Name: 2-butyl-3-[[4-[2-(dibutylamino)ethyl]phenyl]-oxomethyl]-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-3-[4-[2-(dibutylamino)ethyl]benzoyl]-1-benzofuran-5-carboxylate Traditional Name: 2-butyl-3-[4-[2-(dibutylamino)ethyl]benzoyl]benzofuran-5-carboxylic acid methyl ester Formula: C31H41NO4 MolecularWeight: 491.66154

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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)CCN(CCCC)CCCC

Isomeric SMILES

CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)OC)C(=O)C3=CC=C(C=C3)CCN(CCCC)CCCC

InChI

InChI=1S/C31H41NO4/c1-5-8-11-28-29(26-22-25(31(34)35-4)16-17-27(26)36-28)30(33)24-14-12-23(13-15-24)18-21-32(19-9-6-2)20-10-7-3/h12-17,22H,5-11,18-21H2,1-4H3