[2-[2-[(5-bromanylpyridin-2-yl)carbamoylamino]cyclopropyl]-6-butanoyl-3-fluoranyl-phenyl] 3-azanylbenzoate

Systemtic Name: [2-[2-[(5-bromanylpyridin-2-yl)carbamoylamino]cyclopropyl]-6-butanoyl-3-fluoranyl-phenyl] 3-azanylbenzoate Openeye Name: [2-[2-[(5-bromo-2-pyridyl)carbamoylamino]cyclopropyl]-6-butanoyl-3-fluoro-phenyl] 3-aminobenzoate CAS Name: 3-aminobenzoic acid [2-[2-[[[(5-bromo-2-pyridinyl)amino]-oxomethyl]amino]cyclopropyl]-3-fluoro-6-(1-oxobutyl)phenyl] ester IUPAC Name: [2-[2-[(5-bromopyridin-2-yl)carbamoylamino]cyclopropyl]-6-butanoyl-3-fluorophenyl] 3-aminobenzoate Traditional Name: 3-aminobenzoic acid [2-[2-[(5-bromo-2-pyridyl)carbamoylamino]cyclopropyl]-6-butyryl-3-fluoro-phenyl] ester Formula: C26H24BrFN4O4 MolecularWeight: 555.395563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24BrFN4O4/c1-2-4-21(33)17-8-9-19(28)23(24(17)36-25(34)14-5-3-6-16(29)11-14)18-12-20(18)31-26(35)32-22-10-7-15(27)13-30-22/h3,5-11,13,18,20H,2,4,12,29H2,1H3,(H2,30,31,32,35)