methyl 2-[1-[(2-cyclohexyl-1,3-benzoxazol-6-yl)carbonyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-[(2-cyclohexyl-1,3-benzoxazol-6-yl)carbonyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-(2-cyclohexyl-1,3-benzoxazole-6-carbonyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(2-cyclohexyl-1,3-benzoxazol-6-yl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(2-cyclohexyl-1,3-benzoxazole-6-carbonyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(2-cyclohexyl-1,3-benzoxazole-6-carbonyl)-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C(=O)C2=CC3=C(C=C2)N=C(O3)C4CCCCC4

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1C(=O)C2=CC3=C(C=C2)N=C(O3)C4CCCCC4

InChI

InChI=1S/C21H25N3O5/c1-28-18(25)12-16-19(26)22-9-10-24(16)21(27)14-7-8-15-17(11-14)29-20(23-15)13-5-3-2-4-6-13/h7-8,11,13,16H,2-6,9-10,12H2,1H3,(H,22,26)