[2-(dimethylaminomethyl)-1-(phenylmethyl)cyclohexyl] (E)-3-phenylprop-2-enoate hydrochloride

Systemtic Name: [2-(dimethylaminomethyl)-1-(phenylmethyl)cyclohexyl] (E)-3-phenylprop-2-enoate hydrochloride Openeye Name: [1-benzyl-2-(dimethylaminomethyl)cyclohexyl] (E)-3-phenylprop-2-enoate hydrochloride CAS Name: (E)-3-phenyl-2-propenoic acid [2-(dimethylaminomethyl)-1-(phenylmethyl)cyclohexyl] ester hydrochloride IUPAC Name: [1-benzyl-2-(dimethylaminomethyl)cyclohexyl] (E)-3-phenylprop-2-enoate hydrochloride Traditional Name: (E)-3-phenylacrylic acid [1-benzyl-2-(dimethylaminomethyl)cyclohexyl] ester hydrochloride Formula: C25H32ClNO2 MolecularWeight: 413.98008

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CCCCC1(CC2=CC=CC=C2)OC(=O)C=CC3=CC=CC=C3.Cl

Isomeric SMILES

CN(C)CC1CCCCC1(CC2=CC=CC=C2)OC(=O)/C=C/C3=CC=CC=C3.Cl

InChI

InChI=1S/C25H31NO2.ClH/c1-26(2)20-23-15-9-10-18-25(23,19-22-13-7-4-8-14-22)28-24(27)17-16-21-11-5-3-6-12-21;/h3-8,11-14,16-17,23H,9-10,15,18-20H2,1-2H3;1H/b17-16+;