2-[(4-carbamimidoylphenyl)amino]-2-(3-ethyl-4-propan-2-yloxy-phenyl)ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-ethyl-4-propan-2-yloxy-phenyl)ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-(3-ethyl-4-isopropoxy-phenyl)acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-(3-ethyl-4-propan-2-yloxyphenyl)acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-(3-ethyl-4-propan-2-yloxyphenyl)acetic acid Traditional Name: 2-(4-amidinoanilino)-2-(3-ethyl-4-isopropoxy-phenyl)acetic acid Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OC(C)C

Isomeric SMILES

CCC1=C(C=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OC(C)C

InChI

InChI=1S/C20H25N3O3/c1-4-13-11-15(7-10-17(13)26-12(2)3)18(20(24)25)23-16-8-5-14(6-9-16)19(21)22/h5-12,18,23H,4H2,1-3H3,(H3,21,22)(H,24,25)