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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)OC2=C(N=CC=C2)OC3=C(C=C(C(=C3F)OC4=CC=CC(=C4)N=C(N)N)C(=N)N)F

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)OC2=C(N=CC=C2)OC3=C(C=C(C(=C3F)OC4=CC=CC(=C4)N=C(N)N)C(=N)N)F

InChI

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