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

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-(4-acetyloxyphenyl)benzoate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 4-(4-acetoxyphenyl)benzoate CAS Name: 4-(4-acetyloxyphenyl)benzoic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 4-(4-acetyloxyphenyl)benzoate Traditional Name: 4-(4-acetoxyphenyl)benzoic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C24H27NO5 MolecularWeight: 409.47488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO5/c1-17(23(27)25-15-5-3-4-6-16-25)29-24(28)21-9-7-19(8-10-21)20-11-13-22(14-12-20)30-18(2)26/h7-14,17H,3-6,15-16H2,1-2H3/t17-/m1/s1