2-(cyclohexylamino)-1-(3-nitro-5-phenylmethoxy-phenyl)ethanol hydrochloride

Systemtic Name: 2-(cyclohexylamino)-1-(3-nitro-5-phenylmethoxy-phenyl)ethanol hydrochloride Openeye Name: 1-(3-benzyloxy-5-nitro-phenyl)-2-(cyclohexylamino)ethanol hydrochloride CAS Name: 2-(cyclohexylamino)-1-(3-nitro-5-phenylmethoxyphenyl)ethanol hydrochloride IUPAC Name: 2-(cyclohexylamino)-1-(3-nitro-5-phenylmethoxyphenyl)ethanol hydrochloride Traditional Name: 1-(3-benzoxy-5-nitro-phenyl)-2-(cyclohexylamino)ethanol hydrochloride Formula: C21H27ClN2O4 MolecularWeight: 406.90308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCC(C2=CC(=CC(=C2)OCC3=CC=CC=C3)[N+](=O)[O-])O.Cl

Isomeric SMILES

C1CCC(CC1)NCC(C2=CC(=CC(=C2)OCC3=CC=CC=C3)[N+](=O)[O-])O.Cl

InChI

InChI=1S/C21H26N2O4.ClH/c24-21(14-22-18-9-5-2-6-10-18)17-11-19(23(25)26)13-20(12-17)27-15-16-7-3-1-4-8-16;/h1,3-4,7-8,11-13,18,21-22,24H,2,5-6,9-10,14-15H2;1H