2-[6-[(4-carbamimidoylphenyl)carbamoyl]-2,2-dimethyl-3H-1-benzofuran-5-yl]benzoic acid

Systemtic Name: 2-[6-[(4-carbamimidoylphenyl)carbamoyl]-2,2-dimethyl-3H-1-benzofuran-5-yl]benzoic acid Openeye Name: 2-[6-[(4-carbamimidoylphenyl)carbamoyl]-2,2-dimethyl-3H-benzofuran-5-yl]benzoic acid CAS Name: 2-[6-[(4-carbamimidoylanilino)-oxomethyl]-2,2-dimethyl-3H-benzofuran-5-yl]benzoic acid IUPAC Name: 2-[6-[(4-carbamimidoylphenyl)carbamoyl]-2,2-dimethyl-3H-1-benzofuran-5-yl]benzoic acid Traditional Name: 2-[6-[(4-amidinophenyl)carbamoyl]-2,2-dimethyl-coumaran-5-yl]benzoic acid Formula: C25H23N3O4 MolecularWeight: 429.46782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C=C(C(=C2)C3=CC=CC=C3C(=O)O)C(=O)NC4=CC=C(C=C4)C(=N)N)C

Isomeric SMILES

CC1(CC2=C(O1)C=C(C(=C2)C3=CC=CC=C3C(=O)O)C(=O)NC4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C25H23N3O4/c1-25(2)13-15-11-19(17-5-3-4-6-18(17)24(30)31)20(12-21(15)32-25)23(29)28-16-9-7-14(8-10-16)22(26)27/h3-12H,13H2,1-2H3,(H3,26,27)(H,28,29)(H,30,31)