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

Systemtic Name: 2-butyl-3-[4-[3-(dibutylamino)propyl]phenyl]carbonyl-1-benzofuran-5-carboxylic acid Openeye Name: 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]benzofuran-5-carboxylic acid CAS Name: 2-butyl-3-[[4-[3-(dibutylamino)propyl]phenyl]-oxomethyl]-5-benzofurancarboxylic acid IUPAC Name: 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-1-benzofuran-5-carboxylic acid Traditional Name: 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]benzofuran-5-carboxylic acid 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)O)C(=O)C3=CC=C(C=C3)CCCN(CCCC)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C31H41NO4/c1-4-7-12-28-29(26-22-25(31(34)35)17-18-27(26)36-28)30(33)24-15-13-23(14-16-24)11-10-21-32(19-8-5-2)20-9-6-3/h13-18,22H,4-12,19-21H2,1-3H3,(H,34,35)