butyl 4-[(4-phenethylpiperazin-1-yl)carbonylamino]benzoate

Systemtic Name: butyl 4-[(4-phenethylpiperazin-1-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(4-phenethylpiperazine-1-carbonyl)amino]benzoate CAS Name: 4-[[oxo-(4-phenethyl-1-piperazinyl)methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(4-phenethylpiperazine-1-carbonyl)amino]benzoate Traditional Name: 4-[(4-phenethylpiperazine-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=C(C=C1)NC(=O)N2CCN(CC2)CCC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O3/c1-2-3-19-30-23(28)21-9-11-22(12-10-21)25-24(29)27-17-15-26(16-18-27)14-13-20-7-5-4-6-8-20/h4-12H,2-3,13-19H2,1H3,(H,25,29)