[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 4-methylbenzoate

Systemtic Name: [2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 4-methylbenzoate Openeye Name: [2-[4-(m-tolylmethyl)piperazin-1-yl]-2-oxo-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-keto-2-[4-(3-methylbenzyl)piperazino]ethyl] ester Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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