4-[(4-tert-butylphenyl)carbonylamino]-3-[(3-carbamimidoylphenyl)carbonylamino]benzoic acid

Systemtic Name: 4-[(4-tert-butylphenyl)carbonylamino]-3-[(3-carbamimidoylphenyl)carbonylamino]benzoic acid Openeye Name: 4-[(4-tert-butylbenzoyl)amino]-3-[(3-carbamimidoylbenzoyl)amino]benzoic acid CAS Name: 4-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-[[(3-carbamimidoylphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(4-tert-butylbenzoyl)amino]-3-[(3-carbamimidoylbenzoyl)amino]benzoic acid Traditional Name: 3-[(3-amidinobenzoyl)amino]-4-[(4-tert-butylbenzoyl)amino]benzoic acid Formula: C26H26N4O4 MolecularWeight: 458.50904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)C3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)C3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C26H26N4O4/c1-26(2,3)19-10-7-15(8-11-19)23(31)29-20-12-9-18(25(33)34)14-21(20)30-24(32)17-6-4-5-16(13-17)22(27)28/h4-14H,1-3H3,(H3,27,28)(H,29,31)(H,30,32)(H,33,34)