[3-bromanyl-5-ethyl-2-(2-hydroxyethyloxy)phenyl] 2-[(4-carbamimidoylphenyl)amino]ethanoate

Systemtic Name: [3-bromanyl-5-ethyl-2-(2-hydroxyethyloxy)phenyl] 2-[(4-carbamimidoylphenyl)amino]ethanoate Openeye Name: [3-bromo-5-ethyl-2-(2-hydroxyethoxy)phenyl] 2-(4-carbamimidoylanilino)acetate CAS Name: 2-(4-carbamimidoylanilino)acetic acid [3-bromo-5-ethyl-2-(2-hydroxyethoxy)phenyl] ester IUPAC Name: [3-bromo-5-ethyl-2-(2-hydroxyethoxy)phenyl] 2-(4-carbamimidoylanilino)acetate Traditional Name: 2-(4-amidinoanilino)acetic acid [3-bromo-5-ethyl-2-(2-hydroxyethoxy)phenyl] ester Formula: C19H22BrN3O4 MolecularWeight: 436.29968

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)Br)OCCO)OC(=O)CNC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCC1=CC(=C(C(=C1)Br)OCCO)OC(=O)CNC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C19H22BrN3O4/c1-2-12-9-15(20)18(26-8-7-24)16(10-12)27-17(25)11-23-14-5-3-13(4-6-14)19(21)22/h3-6,9-10,23-24H,2,7-8,11H2,1H3,(H3,21,22)