2-(3-butoxy-5-ethoxy-phenyl)-2-[(4-carbamimidoylphenyl)amino]ethanoic acid

Systemtic Name: 2-(3-butoxy-5-ethoxy-phenyl)-2-[(4-carbamimidoylphenyl)amino]ethanoic acid Openeye Name: 2-(3-butoxy-5-ethoxy-phenyl)-2-(4-carbamimidoylanilino)acetic acid CAS Name: 2-(3-butoxy-5-ethoxyphenyl)-2-(4-carbamimidoylanilino)acetic acid IUPAC Name: 2-(3-butoxy-5-ethoxyphenyl)-2-(4-carbamimidoylanilino)acetic acid Traditional Name: 2-(4-amidinoanilino)-2-(3-butoxy-5-ethoxy-phenyl)acetic acid Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC(=C1)OCC)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCCCOC1=CC(=CC(=C1)OCC)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H27N3O4/c1-3-5-10-28-18-12-15(11-17(13-18)27-4-2)19(21(25)26)24-16-8-6-14(7-9-16)20(22)23/h6-9,11-13,19,24H,3-5,10H2,1-2H3,(H3,22,23)(H,25,26)