[(4-carbamimidoylphenyl)amino] 2-[3-ethyl-5-(oxan-4-yloxy)phenyl]ethanoate

Systemtic Name: [(4-carbamimidoylphenyl)amino] 2-[3-ethyl-5-(oxan-4-yloxy)phenyl]ethanoate Openeye Name: (4-carbamimidoylanilino) 2-(3-ethyl-5-tetrahydropyran-4-yloxy-phenyl)acetate CAS Name: 2-[3-ethyl-5-(4-oxanyloxy)phenyl]acetic acid (4-carbamimidoylanilino) ester IUPAC Name: (4-carbamimidoylanilino) 2-[3-ethyl-5-(oxan-4-yloxy)phenyl]acetate Traditional Name: 2-(3-ethyl-5-tetrahydropyran-4-yloxy-phenyl)acetic acid (4-amidinoanilino) ester Formula: C22H27N3O4 MolecularWeight: 397.46748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)CC(=O)ONC2=CC=C(C=C2)C(=N)N)OC3CCOCC3

Isomeric SMILES

CCC1=CC(=CC(=C1)CC(=O)ONC2=CC=C(C=C2)C(=N)N)OC3CCOCC3

InChI

InChI=1S/C22H27N3O4/c1-2-15-11-16(13-20(12-15)28-19-7-9-27-10-8-19)14-21(26)29-25-18-5-3-17(4-6-18)22(23)24/h3-6,11-13,19,25H,2,7-10,14H2,1H3,(H3,23,24)