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

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

Systemtic Name:[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-(phenylcarbonyl)benzoate
Openeye Name:[2-(azepan-1-yl)-2-oxo-ethyl] 4-benzoylbenzoate
CAS Name:4-benzoylbenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester
IUPAC Name:[2-(azepan-1-yl)-2-oxoethyl] 4-benzoylbenzoate
Traditional Name:4-benzoylbenzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester
Formula: C22H23NO4
MolecularWeight: 365.42232
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H23NO4/c24-20(23-14-6-1-2-7-15-23)16-27-22(26)19-12-10-18(11-13-19)21(25)17-8-4-3-5-9-17/h3-5,8-13H,1-2,6-7,14-16H2


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