3-cyclohexyl-2-[[4-(phenylmethyl)piperazin-1-yl]carbonylamino]propanoic acid

Systemtic Name: 3-cyclohexyl-2-[[4-(phenylmethyl)piperazin-1-yl]carbonylamino]propanoic acid Openeye Name: 2-[(4-benzylpiperazine-1-carbonyl)amino]-3-cyclohexyl-propanoic acid CAS Name: 3-cyclohexyl-2-[[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]amino]propanoic acid IUPAC Name: 2-[(4-benzylpiperazine-1-carbonyl)amino]-3-cyclohexylpropanoic acid Traditional Name: 2-[(4-benzylpiperazine-1-carbonyl)amino]-3-cyclohexyl-propionic acid Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)O)NC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)CC(C(=O)O)NC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O3/c25-20(26)19(15-17-7-3-1-4-8-17)22-21(27)24-13-11-23(12-14-24)16-18-9-5-2-6-10-18/h2,5-6,9-10,17,19H,1,3-4,7-8,11-16H2,(H,22,27)(H,25,26)