[1-(dimethylamino)-5-phenyl-pentan-3-yl] 4-nitrobenzoate hydrochloride

Systemtic Name: [1-(dimethylamino)-5-phenyl-pentan-3-yl] 4-nitrobenzoate hydrochloride Openeye Name: [1-(2-dimethylaminoethyl)-3-phenyl-propyl] 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid [1-(dimethylamino)-5-phenylpentan-3-yl] ester hydrochloride IUPAC Name: [1-(dimethylamino)-5-phenylpentan-3-yl] 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid [1-(2-dimethylaminoethyl)-3-phenyl-propyl] ester hydrochloride Formula: C20H25ClN2O4 MolecularWeight: 392.8765

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(CCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl

Isomeric SMILES

CN(C)CCC(CCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl

InChI

InChI=1S/C20H24N2O4.ClH/c1-21(2)15-14-19(13-8-16-6-4-3-5-7-16)26-20(23)17-9-11-18(12-10-17)22(24)25;/h3-7,9-12,19H,8,13-15H2,1-2H3;1H