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

Systemtic Name: propan-2-yl 2-butyl-3-[4-[(dibutylamino)methyl]phenyl]carbonyl-1-benzofuran-5-carboxylate Openeye Name: isopropyl 2-butyl-3-[4-[(dibutylamino)methyl]benzoyl]benzofuran-5-carboxylate CAS Name: 2-butyl-3-[[4-[(dibutylamino)methyl]phenyl]-oxomethyl]-5-benzofurancarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-butyl-3-[4-[(dibutylamino)methyl]benzoyl]-1-benzofuran-5-carboxylate Traditional Name: 2-butyl-3-[4-[(dibutylamino)methyl]benzoyl]benzofuran-5-carboxylic acid isopropyl 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)C)C(=O)C3=CC=C(C=C3)CN(CCCC)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C32H43NO4/c1-6-9-12-29-30(27-21-26(17-18-28(27)37-29)32(35)36-23(4)5)31(34)25-15-13-24(14-16-25)22-33(19-10-7-2)20-11-8-3/h13-18,21,23H,6-12,19-20,22H2,1-5H3