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

Systemtic Name: [2-[2-[(5-cyanopyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluoranyl-6-propanoyl-phenyl] 3-azanylbenzoate Openeye Name: [2-[2-[(5-cyano-2-pyridyl)carbamoylamino]cyclopropyl]-3-fluoro-6-propanoyl-phenyl] 3-aminobenzoate CAS Name: 3-aminobenzoic acid [2-[2-[[[(5-cyano-2-pyridinyl)amino]-oxomethyl]amino]cyclopropyl]-3-fluoro-6-(1-oxopropyl)phenyl] ester IUPAC Name: [2-[2-[(5-cyanopyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluoro-6-propanoylphenyl] 3-aminobenzoate Traditional Name: 3-aminobenzoic acid [2-[2-[(5-cyano-2-pyridyl)carbamoylamino]cyclopropyl]-3-fluoro-6-propionyl-phenyl] ester Formula: C26H22FN5O4 MolecularWeight: 487.482383

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

Isomeric SMILES

CCC(=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/C26H22FN5O4/c1-2-21(33)17-7-8-19(27)23(24(17)36-25(34)15-4-3-5-16(29)10-15)18-11-20(18)31-26(35)32-22-9-6-14(12-28)13-30-22/h3-10,13,18,20H,2,11,29H2,1H3,(H2,30,31,32,35)