[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-(phenylcarbonyl)benzoate

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-(phenylcarbonyl)benzoate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 4-benzoylbenzoate CAS Name: 4-benzoylbenzoic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 4-benzoylbenzoate Traditional Name: 4-benzoylbenzoic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H25NO4/c1-17(22(26)24-15-7-2-3-8-16-24)28-23(27)20-13-11-19(12-14-20)21(25)18-9-5-4-6-10-18/h4-6,9-14,17H,2-3,7-8,15-16H2,1H3/t17-/m1/s1