[2-[2-[(4-cyanophenyl)carbamoylamino]cyclopropyl]-3-fluoranyl-6-propanoyl-phenyl] 3-azanylbenzoate

Systemtic Name: [2-[2-[(4-cyanophenyl)carbamoylamino]cyclopropyl]-3-fluoranyl-6-propanoyl-phenyl] 3-azanylbenzoate Openeye Name: [2-[2-[(4-cyanophenyl)carbamoylamino]cyclopropyl]-3-fluoro-6-propanoyl-phenyl] 3-aminobenzoate CAS Name: 3-aminobenzoic acid [2-[2-[[(4-cyanoanilino)-oxomethyl]amino]cyclopropyl]-3-fluoro-6-(1-oxopropyl)phenyl] ester IUPAC Name: [2-[2-[(4-cyanophenyl)carbamoylamino]cyclopropyl]-3-fluoro-6-propanoylphenyl] 3-aminobenzoate Traditional Name: 3-aminobenzoic acid [2-[2-[(4-cyanophenyl)carbamoylamino]cyclopropyl]-3-fluoro-6-propionyl-phenyl] ester Formula: C27H23FN4O4 MolecularWeight: 486.494323

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C(=C(C=C1)F)C2CC2NC(=O)NC3=CC=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=CC=C(C=C3)C#N)OC(=O)C4=CC(=CC=C4)N

InChI

InChI=1S/C27H23FN4O4/c1-2-23(33)19-10-11-21(28)24(25(19)36-26(34)16-4-3-5-17(30)12-16)20-13-22(20)32-27(35)31-18-8-6-15(14-29)7-9-18/h3-12,20,22H,2,13,30H2,1H3,(H2,31,32,35)