(5-phenyl-1,2-oxazol-3-yl)methyl 2-(2-oxidanylideneazepan-1-yl)ethanoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-(2-oxidanylideneazepan-1-yl)ethanoate Openeye Name: (5-phenylisoxazol-3-yl)methyl 2-(2-oxoazepan-1-yl)acetate CAS Name: 2-(2-oxo-1-azepanyl)acetic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-(2-oxoazepan-1-yl)acetate Traditional Name: 2-(2-ketoazepan-1-yl)acetic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)OCC2=NOC(=C2)C3=CC=CC=C3

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)OCC2=NOC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H20N2O4/c21-17-9-5-2-6-10-20(17)12-18(22)23-13-15-11-16(24-19-15)14-7-3-1-4-8-14/h1,3-4,7-8,11H,2,5-6,9-10,12-13H2