3-[3-(dibutylamino)-2-[(E)-prop-1-enyl]phenyl]carbonyl-1-benzofuran-5-carboxylic acid

Systemtic Name: 3-[3-(dibutylamino)-2-[(E)-prop-1-enyl]phenyl]carbonyl-1-benzofuran-5-carboxylic acid Openeye Name: 3-[3-(dibutylamino)-2-[(E)-prop-1-enyl]benzoyl]benzofuran-5-carboxylic acid CAS Name: 3-[[3-(dibutylamino)-2-[(E)-prop-1-enyl]phenyl]-oxomethyl]-5-benzofurancarboxylic acid IUPAC Name: 3-[3-(dibutylamino)-2-[(E)-prop-1-enyl]benzoyl]-1-benzofuran-5-carboxylic acid Traditional Name: 3-[3-(dibutylamino)-2-[(E)-prop-1-enyl]benzoyl]benzofuran-5-carboxylic acid Formula: C27H31NO4 MolecularWeight: 433.53934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=CC=CC(=C1C=CC)C(=O)C2=COC3=C2C=C(C=C3)C(=O)O

Isomeric SMILES

CCCCN(CCCC)C1=CC=CC(=C1/C=C/C)C(=O)C2=COC3=C2C=C(C=C3)C(=O)O

InChI

InChI=1S/C27H31NO4/c1-4-7-15-28(16-8-5-2)24-12-9-11-21(20(24)10-6-3)26(29)23-18-32-25-14-13-19(27(30)31)17-22(23)25/h6,9-14,17-18H,4-5,7-8,15-16H2,1-3H3,(H,30,31)/b10-6+