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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C=CC=C2O1)C(=O)OC)C(=O)C3=CC=C(C=C3)CCCN(CCCC)CCCC

Isomeric SMILES

CCCCC1=C(C2=C(C=CC=C2O1)C(=O)OC)C(=O)C3=CC=C(C=C3)CCCN(CCCC)CCCC

InChI

InChI=1S/C32H43NO4/c1-5-8-15-28-30(29-26(32(35)36-4)14-11-16-27(29)37-28)31(34)25-19-17-24(18-20-25)13-12-23-33(21-9-6-2)22-10-7-3/h11,14,16-20H,5-10,12-13,15,21-23H2,1-4H3