[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)methoxy]benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)methoxy]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-[(2-chlorophenyl)methoxy]benzoate CAS Name: 2-[(2-chlorophenyl)methoxy]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-[(2-chlorophenyl)methoxy]benzoate Traditional Name: 2-(2-chlorobenzyl)oxybenzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C22H24ClNO4 MolecularWeight: 401.88326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC=CC=C2OCC3=CC=CC=C3Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC=CC=C2OCC3=CC=CC=C3Cl

InChI

InChI=1S/C22H24ClNO4/c23-19-11-5-3-9-17(19)15-27-20-12-6-4-10-18(20)22(26)28-16-21(25)24-13-7-1-2-8-14-24/h3-6,9-12H,1-2,7-8,13-16H2