methyl 5-[2-(4-cyclohexylpiperazin-1-yl)carbonylphenyl]-1,3-oxazole-4-carboxylate

Systemtic Name: methyl 5-[2-(4-cyclohexylpiperazin-1-yl)carbonylphenyl]-1,3-oxazole-4-carboxylate Openeye Name: methyl 5-[2-(4-cyclohexylpiperazine-1-carbonyl)phenyl]oxazole-4-carboxylate CAS Name: 5-[2-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]phenyl]-4-oxazolecarboxylic acid methyl ester IUPAC Name: methyl 5-[2-(4-cyclohexylpiperazine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxylate Traditional Name: 5-[2-(4-cyclohexylpiperazine-1-carbonyl)phenyl]oxazole-4-carboxylic acid methyl ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC=N1)C2=CC=CC=C2C(=O)N3CCN(CC3)C4CCCCC4

Isomeric SMILES

COC(=O)C1=C(OC=N1)C2=CC=CC=C2C(=O)N3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C22H27N3O4/c1-28-22(27)19-20(29-15-23-19)17-9-5-6-10-18(17)21(26)25-13-11-24(12-14-25)16-7-3-2-4-8-16/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3