methyl 2-[3-oxidanylidene-1-[[2-(phenylmethyl)-1,3-benzoxazol-5-yl]carbonyl]piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[3-oxidanylidene-1-[[2-(phenylmethyl)-1,3-benzoxazol-5-yl]carbonyl]piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-(2-benzyl-1,3-benzoxazole-5-carbonyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[oxo-[2-(phenylmethyl)-1,3-benzoxazol-5-yl]methyl]-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(2-benzyl-1,3-benzoxazole-5-carbonyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(2-benzyl-1,3-benzoxazole-5-carbonyl)-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C(=O)C2=CC3=C(C=C2)OC(=N3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1C(=O)C2=CC3=C(C=C2)OC(=N3)CC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O5/c1-29-20(26)13-17-21(27)23-9-10-25(17)22(28)15-7-8-18-16(12-15)24-19(30-18)11-14-5-3-2-4-6-14/h2-8,12,17H,9-11,13H2,1H3,(H,23,27)