2-[4-tert-butyl-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoic acid

Systemtic Name: 2-[4-tert-butyl-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoic acid Openeye Name: 2-[4-tert-butyl-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoic acid CAS Name: 2-[4-tert-butyl-2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]benzoic acid IUPAC Name: 2-[4-tert-butyl-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-4-tert-butyl-phenyl]benzoic acid Formula: C25H25N3O3 MolecularWeight: 415.4843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3/c1-25(2,3)16-10-13-19(18-6-4-5-7-20(18)24(30)31)21(14-16)23(29)28-17-11-8-15(9-12-17)22(26)27/h4-14H,1-3H3,(H3,26,27)(H,28,29)(H,30,31)