[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 1,3-benzoxazole-6-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 1,3-benzoxazole-6-carboxylate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 1,3-benzoxazole-6-carboxylate CAS Name: 1,3-benzoxazole-6-carboxylic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 1,3-benzoxazole-6-carboxylate Traditional Name: 1,3-benzoxazole-6-carboxylic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC(=O)C3=CC4=C(C=C3)N=CO4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC(=O)C3=CC4=C(C=C3)N=CO4

InChI

InChI=1S/C21H21N3O4/c25-20(14-27-21(26)17-6-7-18-19(12-17)28-15-22-18)24-10-8-23(9-11-24)13-16-4-2-1-3-5-16/h1-7,12,15H,8-11,13-14H2