[1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 4-(cyclopropylcarbonylamino)benzoate

Systemtic Name: [1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 4-(cyclopropylcarbonylamino)benzoate Openeye Name: [1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl] 4-(cyclopropanecarbonylamino)benzoate CAS Name: 4-[[cyclopropyl(oxo)methyl]amino]benzoic acid [1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] 4-(cyclopropanecarbonylamino)benzoate Traditional Name: 4-(cyclopropanecarbonylamino)benzoic acid [1-(4-fluorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C24H23FN2O5 MolecularWeight: 438.448223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)OC(=O)C2=CC=C(C=C2)NC(=O)C3CC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C(=O)C(C1)OC(=O)C2=CC=C(C=C2)NC(=O)C3CC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H23FN2O5/c25-18-10-6-16(7-11-18)22(29)27-14-2-1-3-20(23(27)30)32-24(31)17-8-12-19(13-9-17)26-21(28)15-4-5-15/h6-13,15,20H,1-5,14H2,(H,26,28)