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

Systemtic Name: [6-butanoyl-2-[2-[(5-cyanopyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluoranyl-phenyl] 3-azanylbenzoate Openeye Name: [6-butanoyl-2-[2-[(5-cyano-2-pyridyl)carbamoylamino]cyclopropyl]-3-fluoro-phenyl] 3-aminobenzoate CAS Name: 3-aminobenzoic acid [2-[2-[[[(5-cyano-2-pyridinyl)amino]-oxomethyl]amino]cyclopropyl]-3-fluoro-6-(1-oxobutyl)phenyl] ester IUPAC Name: [6-butanoyl-2-[2-[(5-cyanopyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluorophenyl] 3-aminobenzoate Traditional Name: 3-aminobenzoic acid [6-butyryl-2-[2-[(5-cyano-2-pyridyl)carbamoylamino]cyclopropyl]-3-fluoro-phenyl] ester Formula: C27H24FN5O4 MolecularWeight: 501.508963

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

InChI

InChI=1S/C27H24FN5O4/c1-2-4-22(34)18-8-9-20(28)24(25(18)37-26(35)16-5-3-6-17(30)11-16)19-12-21(19)32-27(36)33-23-10-7-15(13-29)14-31-23/h3,5-11,14,19,21H,2,4,12,30H2,1H3,(H2,31,32,33,36)