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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O4/c1-25(2)13-15-11-19(20(24(30)31)12-21(15)32-25)17-5-3-4-6-18(17)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)