3-[4-[(2-azanylcyclopentyl)oxy-(phenylcarbonyl)amino]cyclohexyl]propanoic acid hydrochloride

Systemtic Name: 3-[4-[(2-azanylcyclopentyl)oxy-(phenylcarbonyl)amino]cyclohexyl]propanoic acid hydrochloride Openeye Name: 3-[4-[(2-aminocyclopentoxy)-benzoyl-amino]cyclohexyl]propanoic acid hydrochloride CAS Name: 3-[4-[(2-aminocyclopentyl)oxy-benzoylamino]cyclohexyl]propanoic acid hydrochloride IUPAC Name: 3-[4-[(2-aminocyclopentyl)oxy-benzoylamino]cyclohexyl]propanoic acid hydrochloride Traditional Name: 3-[4-[(2-aminocyclopentoxy)-benzoyl-amino]cyclohexyl]propionic acid hydrochloride Formula: C21H31ClN2O4 MolecularWeight: 410.93484

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)ON(C2CCC(CC2)CCC(=O)O)C(=O)C3=CC=CC=C3)N.Cl

Isomeric SMILES

C1CC(C(C1)ON(C2CCC(CC2)CCC(=O)O)C(=O)C3=CC=CC=C3)N.Cl

InChI

InChI=1S/C21H30N2O4.ClH/c22-18-7-4-8-19(18)27-23(21(26)16-5-2-1-3-6-16)17-12-9-15(10-13-17)11-14-20(24)25;/h1-3,5-6,15,17-19H,4,7-14,22H2,(H,24,25);1H