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

Systemtic Name: [2-[2-[(5-bromanylpyridin-2-yl)carbamoylamino]cyclopropyl]-6-ethanoyl-3-fluoranyl-phenyl] 3-azanylbenzoate Openeye Name: [6-acetyl-2-[2-[(5-bromo-2-pyridyl)carbamoylamino]cyclopropyl]-3-fluoro-phenyl] 3-aminobenzoate CAS Name: 3-aminobenzoic acid [6-acetyl-2-[2-[[[(5-bromo-2-pyridinyl)amino]-oxomethyl]amino]cyclopropyl]-3-fluorophenyl] ester IUPAC Name: [6-acetyl-2-[2-[(5-bromopyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluorophenyl] 3-aminobenzoate Traditional Name: 3-aminobenzoic acid [6-acetyl-2-[2-[(5-bromo-2-pyridyl)carbamoylamino]cyclopropyl]-3-fluoro-phenyl] ester Formula: C24H20BrFN4O4 MolecularWeight: 527.342403

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Descriptors Computed from Structure

Canonical SMILES:

CC(=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

CC(=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/C24H20BrFN4O4/c1-12(31)16-6-7-18(26)21(22(16)34-23(32)13-3-2-4-15(27)9-13)17-10-19(17)29-24(33)30-20-8-5-14(25)11-28-20/h2-9,11,17,19H,10,27H2,1H3,(H2,28,29,30,33)