(4-carbamimidoylphenyl) 4-[[ethoxy(3-phenylpropyl)phosphoryl]methyl]benzoate

Systemtic Name: (4-carbamimidoylphenyl) 4-[[ethoxy(3-phenylpropyl)phosphoryl]methyl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[[ethoxy(3-phenylpropyl)phosphoryl]methyl]benzoate CAS Name: 4-[[ethoxy(3-phenylpropyl)phosphoryl]methyl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[[ethoxy(3-phenylpropyl)phosphoryl]methyl]benzoate Traditional Name: 4-[[ethoxy(3-phenylpropyl)phosphoryl]methyl]benzoic acid (4-amidinophenyl) ester Formula: C26H29N2O4P MolecularWeight: 464.493221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCC1=CC=CC=C1)CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOP(=O)(CCCC1=CC=CC=C1)CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C26H29N2O4P/c1-2-31-33(30,18-6-9-20-7-4-3-5-8-20)19-21-10-12-23(13-11-21)26(29)32-24-16-14-22(15-17-24)25(27)28/h3-5,7-8,10-17H,2,6,9,18-19H2,1H3,(H3,27,28)