(4-carbamimidoylphenyl) 4-[[(2-ethoxy-2-oxidanylidene-ethyl)-(phenylmethyl)amino]methyl]benzoate

Systemtic Name: (4-carbamimidoylphenyl) 4-[[(2-ethoxy-2-oxidanylidene-ethyl)-(phenylmethyl)amino]methyl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[[benzyl-(2-ethoxy-2-oxo-ethyl)amino]methyl]benzoate CAS Name: 4-[[(2-ethoxy-2-oxoethyl)-(phenylmethyl)amino]methyl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[[benzyl-(2-ethoxy-2-oxoethyl)amino]methyl]benzoate Traditional Name: 4-[[benzyl-(2-ethoxy-2-keto-ethyl)amino]methyl]benzoic acid (4-amidinophenyl) ester Formula: C26H27N3O4 MolecularWeight: 445.51028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC1=CC=CC=C1)CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CN(CC1=CC=CC=C1)CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C26H27N3O4/c1-2-32-24(30)18-29(16-19-6-4-3-5-7-19)17-20-8-10-22(11-9-20)26(31)33-23-14-12-21(13-15-23)25(27)28/h3-15H,2,16-18H2,1H3,(H3,27,28)