[2-[2-[(5-bromanylpyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluoranyl-6-propanoyl-phenyl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-[2-[(5-bromanylpyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluoranyl-6-propanoyl-phenyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-[2-[(5-bromo-2-pyridyl)carbamoylamino]cyclopropyl]-3-fluoro-6-propanoyl-phenyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-[2-[[[(5-bromo-2-pyridinyl)amino]-oxomethyl]amino]cyclopropyl]-3-fluoro-6-(1-oxopropyl)phenyl] ester IUPAC Name: [2-[2-[(5-bromopyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluoro-6-propanoylphenyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-[2-[(5-bromo-2-pyridyl)carbamoylamino]cyclopropyl]-3-fluoro-6-propionyl-phenyl] ester Formula: C25H21BrClFN4O4 MolecularWeight: 575.814043

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C(=C(C=C1)F)C2CC2NC(=O)NC3=NC=C(C=C3)Br)OC(=O)C4=CC(=C(C=C4)Cl)N

Isomeric SMILES

CCC(=O)C1=C(C(=C(C=C1)F)C2CC2NC(=O)NC3=NC=C(C=C3)Br)OC(=O)C4=CC(=C(C=C4)Cl)N

InChI

InChI=1S/C25H21BrClFN4O4/c1-2-20(33)14-5-7-17(28)22(23(14)36-24(34)12-3-6-16(27)18(29)9-12)15-10-19(15)31-25(35)32-21-8-4-13(26)11-30-21/h3-9,11,15,19H,2,10,29H2,1H3,(H2,30,31,32,35)