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

Systemtic Name: [2-[2-[(5-cyanopyridin-2-yl)carbamoylamino]cyclopropyl]-6-ethanoyl-3-fluoranyl-phenyl] 3-azanylbenzoate Openeye Name: [6-acetyl-2-[2-[(5-cyano-2-pyridyl)carbamoylamino]cyclopropyl]-3-fluoro-phenyl] 3-aminobenzoate CAS Name: 3-aminobenzoic acid [6-acetyl-2-[2-[[[(5-cyano-2-pyridinyl)amino]-oxomethyl]amino]cyclopropyl]-3-fluorophenyl] ester IUPAC Name: [6-acetyl-2-[2-[(5-cyanopyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluorophenyl] 3-aminobenzoate Traditional Name: 3-aminobenzoic acid [6-acetyl-2-[2-[(5-cyano-2-pyridyl)carbamoylamino]cyclopropyl]-3-fluoro-phenyl] ester Formula: C25H20FN5O4 MolecularWeight: 473.455803

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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)C#N)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)C#N)OC(=O)C4=CC(=CC=C4)N

InChI

InChI=1S/C25H20FN5O4/c1-13(32)17-6-7-19(26)22(23(17)35-24(33)15-3-2-4-16(28)9-15)18-10-20(18)30-25(34)31-21-8-5-14(11-27)12-29-21/h2-9,12,18,20H,10,28H2,1H3,(H2,29,30,31,34)