methyl 4-[4-(anthracen-9-ylmethyl)-3-oxidanylidene-1,2-oxazol-5-yl]piperidine-1-carboxylate

Systemtic Name: methyl 4-[4-(anthracen-9-ylmethyl)-3-oxidanylidene-1,2-oxazol-5-yl]piperidine-1-carboxylate Openeye Name: methyl 4-[4-(9-anthrylmethyl)-3-oxo-isoxazol-5-yl]piperidine-1-carboxylate CAS Name: 4-[4-(9-anthracenylmethyl)-3-oxo-5-isoxazolyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(anthracen-9-ylmethyl)-3-oxo-1,2-oxazol-5-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(9-anthrylmethyl)-3-keto-4-isoxazolin-5-yl]piperidine-1-carboxylic acid methyl ester Formula: C25H24N2O4 MolecularWeight: 416.46906

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC(CC1)C2=C(C(=O)NO2)CC3=C4C=CC=CC4=CC5=CC=CC=C53

Isomeric SMILES

COC(=O)N1CCC(CC1)C2=C(C(=O)NO2)CC3=C4C=CC=CC4=CC5=CC=CC=C53

InChI

InChI=1S/C25H24N2O4/c1-30-25(29)27-12-10-16(11-13-27)23-22(24(28)26-31-23)15-21-19-8-4-2-6-17(19)14-18-7-3-5-9-20(18)21/h2-9,14,16H,10-13,15H2,1H3,(H,26,28)