[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 5-methyl-3-phenyl-isoxazole-4-carboxylate CAS Name: 5-methyl-3-phenyl-4-isoxazolecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate Traditional Name: 5-methyl-3-phenyl-isoxazole-4-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C19H22N2O4 MolecularWeight: 342.38898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C19H22N2O4/c1-14-17(18(20-25-14)15-9-5-4-6-10-15)19(23)24-13-16(22)21-11-7-2-3-8-12-21/h4-6,9-10H,2-3,7-8,11-13H2,1H3