[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-phenoxybenzoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-phenoxybenzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-phenoxybenzoate CAS Name: 2-phenoxybenzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-phenoxybenzoate Traditional Name: 2-phenoxybenzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC=CC=C2OC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC=CC=C2OC3=CC=CC=C3

InChI

InChI=1S/C22H25NO4/c1-17(21(24)23-15-9-2-3-10-16-23)26-22(25)19-13-7-8-14-20(19)27-18-11-5-4-6-12-18/h4-8,11-14,17H,2-3,9-10,15-16H2,1H3