butyl 2-[[4-(2,6-dimethylphenyl)piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: butyl 2-[[4-(2,6-dimethylphenyl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: butyl 2-[[4-(2,6-dimethylphenyl)piperazine-1-carbonyl]amino]benzoate CAS Name: 2-[[[4-(2,6-dimethylphenyl)-1-piperazinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 2-[[4-(2,6-dimethylphenyl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 2-[[4-(2,6-dimethylphenyl)piperazine-1-carbonyl]amino]benzoic acid butyl ester Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)C3=C(C=CC=C3C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)C3=C(C=CC=C3C)C

InChI

InChI=1S/C24H31N3O3/c1-4-5-17-30-23(28)20-11-6-7-12-21(20)25-24(29)27-15-13-26(14-16-27)22-18(2)9-8-10-19(22)3/h6-12H,4-5,13-17H2,1-3H3,(H,25,29)