[1-(cyclohexylamino)-2-methyl-2-oxidanyl-propyl] (E)-3-phenylprop-2-enoate hydrochloride

Systemtic Name: [1-(cyclohexylamino)-2-methyl-2-oxidanyl-propyl] (E)-3-phenylprop-2-enoate hydrochloride Openeye Name: [1-(cyclohexylamino)-2-hydroxy-2-methyl-propyl] (E)-3-phenylprop-2-enoate hydrochloride CAS Name: (E)-3-phenyl-2-propenoic acid [1-(cyclohexylamino)-2-hydroxy-2-methylpropyl] ester hydrochloride IUPAC Name: [1-(cyclohexylamino)-2-hydroxy-2-methylpropyl] (E)-3-phenylprop-2-enoate hydrochloride Traditional Name: (E)-3-phenylacrylic acid [1-(cyclohexylamino)-2-hydroxy-2-methyl-propyl] ester hydrochloride Formula: C19H28ClNO3 MolecularWeight: 353.88352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(NC1CCCCC1)OC(=O)C=CC2=CC=CC=C2)O.Cl

Isomeric SMILES

CC(C)(C(NC1CCCCC1)OC(=O)/C=C/C2=CC=CC=C2)O.Cl

InChI

InChI=1S/C19H27NO3.ClH/c1-19(2,22)18(20-16-11-7-4-8-12-16)23-17(21)14-13-15-9-5-3-6-10-15;/h3,5-6,9-10,13-14,16,18,20,22H,4,7-8,11-12H2,1-2H3;1H/b14-13+;