[[4-(phenylmethyl)piperazin-1-yl]carbonylamino] 3-cyclohexylpropanoate

Systemtic Name: [[4-(phenylmethyl)piperazin-1-yl]carbonylamino] 3-cyclohexylpropanoate Openeye Name: [(4-benzylpiperazine-1-carbonyl)amino] 3-cyclohexylpropanoate CAS Name: 3-cyclohexylpropanoic acid [[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]amino] ester IUPAC Name: [(4-benzylpiperazine-1-carbonyl)amino] 3-cyclohexylpropanoate Traditional Name: 3-cyclohexylpropionic acid [(4-benzylpiperazine-1-carbonyl)amino] ester Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)ONC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)CCC(=O)ONC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O3/c25-20(12-11-18-7-3-1-4-8-18)27-22-21(26)24-15-13-23(14-16-24)17-19-9-5-2-6-10-19/h2,5-6,9-10,18H,1,3-4,7-8,11-17H2,(H,22,26)