ethyl 2,8-bis(N'-propan-2-ylcarbamimidoyl)benzo[e][1]benzofuran-5-carboxylate

Systemtic Name: ethyl 2,8-bis(N'-propan-2-ylcarbamimidoyl)benzo[e][1]benzofuran-5-carboxylate Openeye Name: ethyl 2,8-bis(N'-isopropylcarbamimidoyl)benzo[e]benzofuran-5-carboxylate CAS Name: 2,8-bis[amino(propan-2-ylimino)methyl]-5-benzo[e]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2,8-bis(N'-propan-2-ylcarbamimidoyl)benzo[e][1]benzofuran-5-carboxylate Traditional Name: 2,8-bis(N'-isopropylamidino)benzo[e]benzofuran-5-carboxylic acid ethyl ester Formula: C23H28N4O3 MolecularWeight: 408.49342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C(O2)C(=NC(C)C)N)C3=C1C=CC(=C3)C(=NC(C)C)N

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C(O2)C(=NC(C)C)N)C3=C1C=CC(=C3)C(=NC(C)C)N

InChI

InChI=1S/C23H28N4O3/c1-6-29-23(28)18-11-19-17(10-20(30-19)22(25)27-13(4)5)16-9-14(7-8-15(16)18)21(24)26-12(2)3/h7-13H,6H2,1-5H3,(H2,24,26)(H2,25,27)