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

Systemtic Name: methyl 2-butyl-3-[4-[3-(dibutylamino)propyl]phenyl]carbonyl-1-benzofuran-5-carboxylate Openeye Name: methyl 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]benzofuran-5-carboxylate CAS Name: 2-butyl-3-[[4-[3-(dibutylamino)propyl]phenyl]-oxomethyl]-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-1-benzofuran-5-carboxylate Traditional Name: 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]benzofuran-5-carboxylic acid methyl ester Formula: C32H43NO4 MolecularWeight: 505.68812

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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)CCCN(CCCC)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C32H43NO4/c1-5-8-13-29-30(27-23-26(32(35)36-4)18-19-28(27)37-29)31(34)25-16-14-24(15-17-25)12-11-22-33(20-9-6-2)21-10-7-3/h14-19,23H,5-13,20-22H2,1-4H3