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

Systemtic Name: methyl 2-butyl-3-[4-[(dibutylamino)methyl]phenyl]carbonyl-1-benzofuran-5-carboxylate Openeye Name: methyl 2-butyl-3-[4-[(dibutylamino)methyl]benzoyl]benzofuran-5-carboxylate CAS Name: 2-butyl-3-[[4-[(dibutylamino)methyl]phenyl]-oxomethyl]-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-3-[4-[(dibutylamino)methyl]benzoyl]-1-benzofuran-5-carboxylate Traditional Name: 2-butyl-3-[4-[(dibutylamino)methyl]benzoyl]benzofuran-5-carboxylic acid methyl ester Formula: C30H39NO4 MolecularWeight: 477.63496

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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)CN(CCCC)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C30H39NO4/c1-5-8-11-27-28(25-20-24(30(33)34-4)16-17-26(25)35-27)29(32)23-14-12-22(13-15-23)21-31(18-9-6-2)19-10-7-3/h12-17,20H,5-11,18-19,21H2,1-4H3