2-azanyl-3-[4-[(1-phenylpiperidin-2-yl)carbonylamino]cyclohexyl]propanoic acid dihydrochloride

Systemtic Name: 2-azanyl-3-[4-[(1-phenylpiperidin-2-yl)carbonylamino]cyclohexyl]propanoic acid dihydrochloride Openeye Name: 2-amino-3-[4-[(1-phenylpiperidine-2-carbonyl)amino]cyclohexyl]propanoic acid dihydrochloride CAS Name: 2-amino-3-[4-[[oxo-(1-phenyl-2-piperidinyl)methyl]amino]cyclohexyl]propanoic acid dihydrochloride IUPAC Name: 2-amino-3-[4-[(1-phenylpiperidine-2-carbonyl)amino]cyclohexyl]propanoic acid dihydrochloride Traditional Name: 2-amino-3-[4-[(1-phenylpipecoloyl)amino]cyclohexyl]propionic acid dihydrochloride Formula: C21H33Cl2N3O3 MolecularWeight: 446.41102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NC2CCC(CC2)CC(C(=O)O)N)C3=CC=CC=C3.Cl.Cl

Isomeric SMILES

C1CCN(C(C1)C(=O)NC2CCC(CC2)CC(C(=O)O)N)C3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C21H31N3O3.2ClH/c22-18(21(26)27)14-15-9-11-16(12-10-15)23-20(25)19-8-4-5-13-24(19)17-6-2-1-3-7-17;;/h1-3,6-7,15-16,18-19H,4-5,8-14,22H2,(H,23,25)(H,26,27);2*1H