2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[(2,2-dimethylpropylamino)-oxomethyl]-3-furancarboxylic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(neopentylcarbamoyl)-3-furoic acid Formula: C25H26N4O5 MolecularWeight: 462.49774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC(=O)C1=CC(=C(O1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)(C)CNC(=O)C1=CC(=C(O1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C25H26N4O5/c1-25(2,3)13-28-23(31)19-12-18(24(32)33)20(34-19)16-6-4-5-7-17(16)22(30)29-15-10-8-14(9-11-15)21(26)27/h4-12H,13H2,1-3H3,(H3,26,27)(H,28,31)(H,29,30)(H,32,33)