[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 2-fluoranylbenzoate

Systemtic Name: [2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 2-fluoranylbenzoate Openeye Name: [2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [2-[4-(1-azepanyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [2-[4-(azepan-1-yl)anilino]-2-keto-ethyl] ester Formula: C21H23FN2O3 MolecularWeight: 370.417323

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H23FN2O3/c22-19-8-4-3-7-18(19)21(26)27-15-20(25)23-16-9-11-17(12-10-16)24-13-5-1-2-6-14-24/h3-4,7-12H,1-2,5-6,13-15H2,(H,23,25)