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

Systemtic Name: methyl 4-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanoylamino]methyl]benzoate CAS Name: 4-[[[2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanoylamino]methyl]benzoate Traditional Name: 4-[[2-[4-(2,3-dimethylphenyl)piperazino]propanoylamino]methyl]benzoic acid methyl ester Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(C)C(=O)NCC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(C)C(=O)NCC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C24H31N3O3/c1-17-6-5-7-22(18(17)2)27-14-12-26(13-15-27)19(3)23(28)25-16-20-8-10-21(11-9-20)24(29)30-4/h5-11,19H,12-16H2,1-4H3,(H,25,28)