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

Systemtic Name: [6-butanoyl-2-[2-[(4-cyanophenyl)carbamoylamino]cyclopropyl]-3-fluoranyl-phenyl] 3-azanylbenzoate Openeye Name: [6-butanoyl-2-[2-[(4-cyanophenyl)carbamoylamino]cyclopropyl]-3-fluoro-phenyl] 3-aminobenzoate CAS Name: 3-aminobenzoic acid [2-[2-[[(4-cyanoanilino)-oxomethyl]amino]cyclopropyl]-3-fluoro-6-(1-oxobutyl)phenyl] ester IUPAC Name: [6-butanoyl-2-[2-[(4-cyanophenyl)carbamoylamino]cyclopropyl]-3-fluorophenyl] 3-aminobenzoate Traditional Name: 3-aminobenzoic acid [6-butyryl-2-[2-[(4-cyanophenyl)carbamoylamino]cyclopropyl]-3-fluoro-phenyl] ester Formula: C28H25FN4O4 MolecularWeight: 500.520903

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=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

CCCC(=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/C28H25FN4O4/c1-2-4-24(34)20-11-12-22(29)25(26(20)37-27(35)17-5-3-6-18(31)13-17)21-14-23(21)33-28(36)32-19-9-7-16(15-30)8-10-19/h3,5-13,21,23H,2,4,14,31H2,1H3,(H2,32,33,36)