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

Systemtic Name: methyl 4-[4-[(1-methylsulfanylnaphthalen-2-yl)methyl]-3-phenylmethoxy-1,2-oxazol-5-yl]piperidine-1-carboxylate Openeye Name: methyl 4-[3-benzyloxy-4-[(1-methylsulfanyl-2-naphthyl)methyl]isoxazol-5-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[1-(methylthio)-2-naphthalenyl]methyl]-3-phenylmethoxy-5-isoxazolyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[(1-methylsulfanylnaphthalen-2-yl)methyl]-3-phenylmethoxy-1,2-oxazol-5-yl]piperidine-1-carboxylate Traditional Name: 4-[3-benzoxy-4-[[1-(methylthio)-2-naphthyl]methyl]isoxazol-5-yl]piperidine-1-carboxylic acid methyl ester Formula: C29H30N2O4S MolecularWeight: 502.6245

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC(CC1)C2=C(C(=NO2)OCC3=CC=CC=C3)CC4=C(C5=CC=CC=C5C=C4)SC

Isomeric SMILES

COC(=O)N1CCC(CC1)C2=C(C(=NO2)OCC3=CC=CC=C3)CC4=C(C5=CC=CC=C5C=C4)SC

InChI

InChI=1S/C29H30N2O4S/c1-33-29(32)31-16-14-22(15-17-31)26-25(28(30-35-26)34-19-20-8-4-3-5-9-20)18-23-13-12-21-10-6-7-11-24(21)27(23)36-2/h3-13,22H,14-19H2,1-2H3