2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(2-methyl-3-oxidanyl-imidazol-4-yl)phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(2-methyl-3-oxidanyl-imidazol-4-yl)phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(3-hydroxy-2-methyl-imidazol-4-yl)phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(3-hydroxy-2-methyl-4-imidazolyl)phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(3-hydroxy-2-methylimidazol-4-yl)phenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[3-ethoxy-5-(3-hydroxy-2-methyl-imidazol-4-yl)phenyl]acetic acid Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)C3=CN=C(N3O)C

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)C3=CN=C(N3O)C

InChI

InChI=1S/C21H23N5O4/c1-3-30-17-9-14(18-11-24-12(2)26(18)29)8-15(10-17)19(21(27)28)25-16-6-4-13(5-7-16)20(22)23/h4-11,19,25,29H,3H2,1-2H3,(H3,22,23)(H,27,28)