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

Systemtic Name: methyl 4-[4-(3,3-diphenylpropyl)-3-oxidanylidene-1,2-oxazol-5-yl]piperidine-1-carboxylate Openeye Name: methyl 4-[4-(3,3-diphenylpropyl)-3-oxo-isoxazol-5-yl]piperidine-1-carboxylate CAS Name: 4-[4-(3,3-diphenylpropyl)-3-oxo-5-isoxazolyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(3,3-diphenylpropyl)-3-oxo-1,2-oxazol-5-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(3,3-diphenylpropyl)-3-keto-4-isoxazolin-5-yl]piperidine-1-carboxylic acid methyl ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC(CC1)C2=C(C(=O)NO2)CCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)N1CCC(CC1)C2=C(C(=O)NO2)CCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N2O4/c1-30-25(29)27-16-14-20(15-17-27)23-22(24(28)26-31-23)13-12-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20-21H,12-17H2,1H3,(H,26,28)