[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 3,4-dimethylbenzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 3,4-dimethylbenzoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H26N2O3/c1-17-8-9-20(14-18(17)2)22(26)27-16-21(25)24-12-10-23(11-13-24)15-19-6-4-3-5-7-19/h3-9,14H,10-13,15-16H2,1-2H3