[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 5-chloranyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC(=O)C3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC(=O)C3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C22H21ClN2O4/c23-18-6-7-19-17(12-18)13-20(29-19)22(27)28-15-21(26)25-10-8-24(9-11-25)14-16-4-2-1-3-5-16/h1-7,12-13H,8-11,14-15H2