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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-ethoxy-5-propyl-phenyl)ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-(3-ethoxy-5-propyl-phenyl)acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-(3-ethoxy-5-propylphenyl)acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-(3-ethoxy-5-propylphenyl)acetic acid Traditional Name: 2-(4-amidinoanilino)-2-(3-ethoxy-5-propyl-phenyl)acetic acid Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=C1)OCC)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCCC1=CC(=CC(=C1)OCC)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C20H25N3O3/c1-3-5-13-10-15(12-17(11-13)26-4-2)18(20(24)25)23-16-8-6-14(7-9-16)19(21)22/h6-12,18,23H,3-5H2,1-2H3,(H3,21,22)(H,24,25)