3-[3-(dibutylamino)prop-1-ynyl]-2-(phenylcarbonyl)-1-benzofuran-5-carboxylate

Systemtic Name: 3-[3-(dibutylamino)prop-1-ynyl]-2-(phenylcarbonyl)-1-benzofuran-5-carboxylate Openeye Name: 2-benzoyl-3-[3-(dibutylamino)prop-1-ynyl]benzofuran-5-carboxylate CAS Name: 2-benzoyl-3-[3-(dibutylamino)prop-1-ynyl]-5-benzofurancarboxylate IUPAC Name: 2-benzoyl-3-[3-(dibutylamino)prop-1-ynyl]-1-benzofuran-5-carboxylate Traditional Name: 2-benzoyl-3-[3-(dibutylamino)prop-1-ynyl]benzofuran-5-carboxylate Formula: C27H28NO4- MolecularWeight: 430.51552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CC#CC1=C(OC2=C1C=C(C=C2)C(=O)[O-])C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCN(CCCC)CC#CC1=C(OC2=C1C=C(C=C2)C(=O)[O-])C(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H29NO4/c1-3-5-16-28(17-6-4-2)18-10-13-22-23-19-21(27(30)31)14-15-24(23)32-26(22)25(29)20-11-8-7-9-12-20/h7-9,11-12,14-15,19H,3-6,16-18H2,1-2H3,(H,30,31)/p-1