[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-phenoxybenzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-phenoxybenzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-phenoxybenzoate CAS Name: 3-phenoxybenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-phenoxybenzoate Traditional Name: 3-phenoxybenzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H23NO4/c23-20(22-13-6-1-2-7-14-22)16-25-21(24)17-9-8-12-19(15-17)26-18-10-4-3-5-11-18/h3-5,8-12,15H,1-2,6-7,13-14,16H2