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

Systemtic Name: methyl 4-[4-(naphthalen-2-ylmethyl)-3-oxidanylidene-1,2-oxazol-5-yl]piperidine-1-carboxylate Openeye Name: methyl 4-[4-(2-naphthylmethyl)-3-oxo-isoxazol-5-yl]piperidine-1-carboxylate CAS Name: 4-[4-(2-naphthalenylmethyl)-3-oxo-5-isoxazolyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(naphthalen-2-ylmethyl)-3-oxo-1,2-oxazol-5-yl]piperidine-1-carboxylate Traditional Name: 4-[3-keto-4-(2-naphthylmethyl)-4-isoxazolin-5-yl]piperidine-1-carboxylic acid methyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC(CC1)C2=C(C(=O)NO2)CC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)N1CCC(CC1)C2=C(C(=O)NO2)CC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H22N2O4/c1-26-21(25)23-10-8-16(9-11-23)19-18(20(24)22-27-19)13-14-6-7-15-4-2-3-5-17(15)12-14/h2-7,12,16H,8-11,13H2,1H3,(H,22,24)