3-oxidanylpropyl 2-[(4-carbamimidoylphenyl)carbonylamino]-2-phenoxy-ethanoate

Systemtic Name: 3-oxidanylpropyl 2-[(4-carbamimidoylphenyl)carbonylamino]-2-phenoxy-ethanoate Openeye Name: 3-hydroxypropyl 2-[(4-carbamimidoylbenzoyl)amino]-2-phenoxy-acetate CAS Name: 2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-2-phenoxyacetic acid 3-hydroxypropyl ester IUPAC Name: 3-hydroxypropyl 2-[(4-carbamimidoylbenzoyl)amino]-2-phenoxyacetate Traditional Name: 2-[(4-amidinobenzoyl)amino]-2-phenoxy-acetic acid 3-hydroxypropyl ester Formula: C19H21N3O5 MolecularWeight: 371.38714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(C(=O)OCCCO)NC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)OC(C(=O)OCCCO)NC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C19H21N3O5/c20-16(21)13-7-9-14(10-8-13)17(24)22-18(19(25)26-12-4-11-23)27-15-5-2-1-3-6-15/h1-3,5-10,18,23H,4,11-12H2,(H3,20,21)(H,22,24)