[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoate CAS Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoate Traditional Name: 3-(6-chloro-2-keto-1,3-benzoxazol-3-yl)propionic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C22H24ClNO5 MolecularWeight: 417.88266

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)CCN4C5=C(C=C(C=C5)Cl)OC4=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)CCN4C5=C(C=C(C=C5)Cl)OC4=O

InChI

InChI=1S/C22H24ClNO5/c23-16-1-2-17-18(8-16)29-21(27)24(17)4-3-20(26)28-12-19(25)22-9-13-5-14(10-22)7-15(6-13)11-22/h1-2,8,13-15H,3-7,9-12H2