3-[2-[3-[bis(azanyl)methylideneamino]phenoxy]-6-(2-carbamimidoylphenoxy)-3,5-bis(fluoranyl)pyridin-4-yl]oxy-4-methoxy-benzoic acid

Systemtic Name: 3-[2-[3-[bis(azanyl)methylideneamino]phenoxy]-6-(2-carbamimidoylphenoxy)-3,5-bis(fluoranyl)pyridin-4-yl]oxy-4-methoxy-benzoic acid Openeye Name: 3-[[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-(3-guanidinophenoxy)-4-pyridyl]oxy]-4-methoxy-benzoic acid CAS Name: 3-[[2-(2-carbamimidoylphenoxy)-6-[3-(diaminomethylideneamino)phenoxy]-3,5-difluoro-4-pyridinyl]oxy]-4-methoxybenzoic acid IUPAC Name: 3-[2-(2-carbamimidoylphenoxy)-6-[3-(diaminomethylideneamino)phenoxy]-3,5-difluoropyridin-4-yl]oxy-4-methoxybenzoic acid Traditional Name: 3-[[2-(2-amidinophenoxy)-3,5-difluoro-6-(3-guanidinophenoxy)-4-pyridyl]oxy]-4-methoxy-benzoic acid Formula: C27H22F2N6O6 MolecularWeight: 564.496986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)OC2=C(C(=NC(=C2F)OC3=CC=CC=C3C(=N)N)OC4=CC=CC(=C4)N=C(N)N)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)OC2=C(C(=NC(=C2F)OC3=CC=CC=C3C(=N)N)OC4=CC=CC(=C4)N=C(N)N)F

InChI

InChI=1S/C27H22F2N6O6/c1-38-18-10-9-13(26(36)37)11-19(18)40-22-20(28)24(39-15-6-4-5-14(12-15)34-27(32)33)35-25(21(22)29)41-17-8-3-2-7-16(17)23(30)31/h2-12H,1H3,(H3,30,31)(H,36,37)(H4,32,33,34)