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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-3,4-dimethyl-1-benzofuran-5-carboxylic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-3,4-dimethyl-benzofuran-5-carboxylic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-3,4-dimethyl-5-benzofurancarboxylic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-3,4-dimethyl-1-benzofuran-5-carboxylic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-3,4-dimethyl-benzofuran-5-carboxylic acid Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=C(O2)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1C(=C(O2)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N)C)C(=O)O

InChI

InChI=1S/C25H21N3O4/c1-13-17(25(30)31)11-12-20-21(13)14(2)22(32-20)18-5-3-4-6-19(18)24(29)28-16-9-7-15(8-10-16)23(26)27/h3-12H,1-2H3,(H3,26,27)(H,28,29)(H,30,31)