2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(1H-imidazol-2-yl)phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(1H-imidazol-2-yl)phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(1H-imidazol-2-yl)phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(1H-imidazol-2-yl)phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(1H-imidazol-2-yl)phenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[3-ethoxy-5-(1H-imidazol-2-yl)phenyl]acetic acid Formula: C20H21N5O3 MolecularWeight: 379.41244

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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=NC=CN3

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)C3=NC=CN3

InChI

InChI=1S/C20H21N5O3/c1-2-28-16-10-13(9-14(11-16)19-23-7-8-24-19)17(20(26)27)25-15-5-3-12(4-6-15)18(21)22/h3-11,17,25H,2H2,1H3,(H3,21,22)(H,23,24)(H,26,27)