methyl 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]benzoate CAS Name: 3-[[2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-[4-(2,3-dimethylphenyl)piperazino]acetyl]amino]benzoic acid methyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)CC(=O)NC3=CC=CC(=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)CC(=O)NC3=CC=CC(=C3)C(=O)OC)C

InChI

InChI=1S/C22H27N3O3/c1-16-6-4-9-20(17(16)2)25-12-10-24(11-13-25)15-21(26)23-19-8-5-7-18(14-19)22(27)28-3/h4-9,14H,10-13,15H2,1-3H3,(H,23,26)