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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)Br)OCCO)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCC1=CC(=C(C(=C1)Br)OCCO)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N

InChI

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