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3-[[3-(4-carbamimidoylphenyl)-2-ethoxy-phenyl]-ethanoyl-amino]propanoic acid

3-[[3-(4-carbamimidoylphenyl)-2-ethoxy-phenyl]-ethanoyl-amino]propanoic acid

Systemtic Name:3-[[3-(4-carbamimidoylphenyl)-2-ethoxy-phenyl]-ethanoyl-amino]propanoic acid
Openeye Name:3-[N-acetyl-3-(4-carbamimidoylphenyl)-2-ethoxy-anilino]propanoic acid
CAS Name:3-[N-acetyl-3-(4-carbamimidoylphenyl)-2-ethoxyanilino]propanoic acid
IUPAC Name:3-[N-acetyl-3-(4-carbamimidoylphenyl)-2-ethoxyanilino]propanoic acid
Traditional Name:3-[N-acetyl-3-(4-amidinophenyl)-2-ethoxy-anilino]propionic acid
Formula: C20H23N3O4
MolecularWeight: 369.41432
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=C1N(CCC(=O)O)C(=O)C)C2=CC=C(C=C2)C(=N)N


Isomeric SMILES

CCOC1=C(C=CC=C1N(CCC(=O)O)C(=O)C)C2=CC=C(C=C2)C(=N)N


InChI

InChI=1S/C20H23N3O4/c1-3-27-19-16(14-7-9-15(10-8-14)20(21)22)5-4-6-17(19)23(13(2)24)12-11-18(25)26/h4-10H,3,11-12H2,1-2H3,(H3,21,22)(H,25,26)


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