2-[(4-carbamimidoylphenyl)amino]-2-[2-(furan-2-yl)-4,5-dimethoxy-phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[2-(furan-2-yl)-4,5-dimethoxy-phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[2-(2-furyl)-4,5-dimethoxy-phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[2-(2-furanyl)-4,5-dimethoxyphenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[2-(furan-2-yl)-4,5-dimethoxyphenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[2-(2-furyl)-4,5-dimethoxy-phenyl]acetic acid Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2=CC=CO2)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C2=CC=CO2)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N)OC

InChI

InChI=1S/C21H21N3O5/c1-27-17-10-14(16-4-3-9-29-16)15(11-18(17)28-2)19(21(25)26)24-13-7-5-12(6-8-13)20(22)23/h3-11,19,24H,1-2H3,(H3,22,23)(H,25,26)