2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)-10-cyano-2-ethyl-decanoic acid

Systemtic Name: 2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)-10-cyano-2-ethyl-decanoic acid Openeye Name: 2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)-10-cyano-2-ethyl-decanoic acid CAS Name: 2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)-10-cyano-2-ethyldecanoic acid IUPAC Name: 2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)-10-cyano-2-ethyldecanoic acid Traditional Name: 2-(5-amidinocoumaran-3-yl)-10-cyano-2-ethyl-capric acid Formula: C22H31N3O3 MolecularWeight: 385.49984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCCCCCC#N)(C1COC2=C1C=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

CCC(CCCCCCCCC#N)(C1COC2=C1C=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C22H31N3O3/c1-2-22(21(26)27,12-8-6-4-3-5-7-9-13-23)18-15-28-19-11-10-16(20(24)25)14-17(18)19/h10-11,14,18H,2-9,12,15H2,1H3,(H3,24,25)(H,26,27)