methyl 4-[(Z)-[2-(1-adamantyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]benzoate

Systemtic Name: methyl 4-[(Z)-[2-(1-adamantyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]benzoate Openeye Name: methyl 4-[(Z)-[2-(1-adamantyl)-5-oxo-oxazol-4-ylidene]methyl]benzoate CAS Name: 4-[(Z)-[2-(1-adamantyl)-5-oxo-4-oxazolylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-[2-(1-adamantyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoate Traditional Name: 4-[(Z)-[2-(1-adamantyl)-5-keto-2-oxazolin-4-ylidene]methyl]benzoic acid methyl ester Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C2C(=O)OC(=N2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)OC(=N2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H23NO4/c1-26-19(24)17-4-2-13(3-5-17)9-18-20(25)27-21(23-18)22-10-14-6-15(11-22)8-16(7-14)12-22/h2-5,9,14-16H,6-8,10-12H2,1H3/b18-9-