[2-[1-(dimethylaminomethyl)cyclohexyl]-1-phenyl-ethyl] 4-nitrobenzoate hydrochloride

Systemtic Name: [2-[1-(dimethylaminomethyl)cyclohexyl]-1-phenyl-ethyl] 4-nitrobenzoate hydrochloride Openeye Name: [2-[1-(dimethylaminomethyl)cyclohexyl]-1-phenyl-ethyl] 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid [2-[1-(dimethylaminomethyl)cyclohexyl]-1-phenylethyl] ester hydrochloride IUPAC Name: [2-[1-(dimethylaminomethyl)cyclohexyl]-1-phenylethyl] 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid [2-[1-(dimethylaminomethyl)cyclohexyl]-1-phenyl-ethyl] ester hydrochloride Formula: C24H31ClN2O4 MolecularWeight: 446.96694

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1(CCCCC1)CC(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-].Cl

Isomeric SMILES

CN(C)CC1(CCCCC1)CC(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C24H30N2O4.ClH/c1-25(2)18-24(15-7-4-8-16-24)17-22(19-9-5-3-6-10-19)30-23(27)20-11-13-21(14-12-20)26(28)29;/h3,5-6,9-14,22H,4,7-8,15-18H2,1-2H3;1H