2-[2-[[(4-carbamimidoylphenyl)amino]methyl]phenyl]-5-(2,2-dimethylpropylcarbamoyl)benzoic acid

Systemtic Name: 2-[2-[[(4-carbamimidoylphenyl)amino]methyl]phenyl]-5-(2,2-dimethylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylanilino)methyl]phenyl]-5-(2,2-dimethylpropylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)methyl]phenyl]-5-[(2,2-dimethylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylanilino)methyl]phenyl]-5-(2,2-dimethylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinoanilino)methyl]phenyl]-5-(neopentylcarbamoyl)benzoic acid Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2CNC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2CNC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C27H30N4O3/c1-27(2,3)16-31-25(32)18-10-13-22(23(14-18)26(33)34)21-7-5-4-6-19(21)15-30-20-11-8-17(9-12-20)24(28)29/h4-14,30H,15-16H2,1-3H3,(H3,28,29)(H,31,32)(H,33,34)