[1-butyl-2-(dimethylaminomethyl)cyclohexyl] (Z)-3-phenylprop-2-enoate hydrochloride

Systemtic Name: [1-butyl-2-(dimethylaminomethyl)cyclohexyl] (Z)-3-phenylprop-2-enoate hydrochloride Openeye Name: [1-butyl-2-(dimethylaminomethyl)cyclohexyl] (Z)-3-phenylprop-2-enoate hydrochloride CAS Name: (Z)-3-phenyl-2-propenoic acid [1-butyl-2-(dimethylaminomethyl)cyclohexyl] ester hydrochloride IUPAC Name: [1-butyl-2-(dimethylaminomethyl)cyclohexyl] (Z)-3-phenylprop-2-enoate hydrochloride Traditional Name: (Z)-3-phenylacrylic acid [1-butyl-2-(dimethylaminomethyl)cyclohexyl] ester hydrochloride Formula: C22H34ClNO2 MolecularWeight: 379.96386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCCCC1CN(C)C)OC(=O)C=CC2=CC=CC=C2.Cl

Isomeric SMILES

CCCCC1(CCCCC1CN(C)C)OC(=O)/C=C\C2=CC=CC=C2.Cl

InChI

InChI=1S/C22H33NO2.ClH/c1-4-5-16-22(17-10-9-13-20(22)18-23(2)3)25-21(24)15-14-19-11-7-6-8-12-19;/h6-8,11-12,14-15,20H,4-5,9-10,13,16-18H2,1-3H3;1H/b15-14-;