2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-4-(1-oxidanylpropan-2-yloxy)phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-4-(1-oxidanylpropan-2-yloxy)phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-4-(2-hydroxy-1-methyl-ethoxy)phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-4-(1-hydroxypropan-2-yloxy)phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-4-(1-hydroxypropan-2-yloxy)phenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[3-ethoxy-4-(2-hydroxy-1-methyl-ethoxy)phenyl]acetic acid Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5/c1-3-27-17-10-14(6-9-16(17)28-12(2)11-24)18(20(25)26)23-15-7-4-13(5-8-15)19(21)22/h4-10,12,18,23-24H,3,11H2,1-2H3,(H3,21,22)(H,25,26)