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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-ethoxy-5-propan-2-yloxy-phenyl)ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-(3-ethoxy-5-isopropoxy-phenyl)acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-(3-ethoxy-5-propan-2-yloxyphenyl)acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-(3-ethoxy-5-propan-2-yloxyphenyl)acetic acid Traditional Name: 2-(4-amidinoanilino)-2-(3-ethoxy-5-isopropoxy-phenyl)acetic acid Formula: C20H25N3O4 MolecularWeight: 371.4302

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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)OC(C)C

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OC(C)C

InChI

InChI=1S/C20H25N3O4/c1-4-26-16-9-14(10-17(11-16)27-12(2)3)18(20(24)25)23-15-7-5-13(6-8-15)19(21)22/h5-12,18,23H,4H2,1-3H3,(H3,21,22)(H,24,25)