[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-[(3,5-dimethylisoxazol-4-yl)methoxy]benzoate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methoxy]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methoxy]benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC2=CC=CC=C2C(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NO1)C)COC2=CC=CC=C2C(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N2O5/c1-15-18(16(2)28-22-15)13-26-19-10-6-5-9-17(19)21(25)27-14-20(24)23-11-7-3-4-8-12-23/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3