2-[(4-carbamimidoylphenyl)amino]-2-[3-[(cyclobutylamino)methyl]-5-ethoxy-phenyl]ethanoate

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-[(cyclobutylamino)methyl]-5-ethoxy-phenyl]ethanoate Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-[(cyclobutylamino)methyl]-5-ethoxy-phenyl]acetate CAS Name: 2-(4-carbamimidoylanilino)-2-[3-[(cyclobutylamino)methyl]-5-ethoxyphenyl]acetate IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-[(cyclobutylamino)methyl]-5-ethoxyphenyl]acetate Traditional Name: 2-(4-amidinoanilino)-2-[3-[(cyclobutylamino)methyl]-5-ethoxy-phenyl]acetate Formula: C22H27N4O3- MolecularWeight: 395.47478

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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)CNC3CCC3

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)CNC3CCC3

InChI

InChI=1S/C22H28N4O3/c1-2-29-19-11-14(13-25-17-4-3-5-17)10-16(12-19)20(22(27)28)26-18-8-6-15(7-9-18)21(23)24/h6-12,17,20,25-26H,2-5,13H2,1H3,(H3,23,24)(H,27,28)/p-1