butyl 4-[[4-(1-phenylethyl)piperazin-1-yl]carbonylamino]benzoate

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

Isomeric SMILES

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

InChI

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