2-[(4-carbamimidoylphenyl)amino]-2-[5-ethyl-2-(furan-3-ylmethoxy)phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[5-ethyl-2-(furan-3-ylmethoxy)phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[5-ethyl-2-(3-furylmethoxy)phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[5-ethyl-2-(3-furanylmethoxy)phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[5-ethyl-2-(furan-3-ylmethoxy)phenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[5-ethyl-2-(3-furfuryloxy)phenyl]acetic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC2=COC=C2)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC2=COC=C2)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H23N3O4/c1-2-14-3-8-19(29-13-15-9-10-28-12-15)18(11-14)20(22(26)27)25-17-6-4-16(5-7-17)21(23)24/h3-12,20,25H,2,13H2,1H3,(H3,23,24)(H,26,27)