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3-methoxy-1-(sulfanylmethyl)cyclohexane-1-carboxamide; 3-phenylpropanoic acid

3-methoxy-1-(sulfanylmethyl)cyclohexane-1-carboxamide; 3-phenylpropanoic acid

Systemtic Name:3-methoxy-1-(sulfanylmethyl)cyclohexane-1-carboxamide; 3-phenylpropanoic acid
Openeye Name:3-methoxy-1-(sulfanylmethyl)cyclohexanecarboxamide; 3-phenylpropanoic acid
CAS Name:1-(mercaptomethyl)-3-methoxy-1-cyclohexanecarboxamide; 3-phenylpropanoic acid
IUPAC Name:3-methoxy-1-(sulfanylmethyl)cyclohexane-1-carboxamide; 3-phenylpropanoic acid
Traditional Name:hydrocinnamic acid; 1-(mercaptomethyl)-3-methoxy-cyclohexanecarboxamide
Formula: C18H27NO4S
MolecularWeight: 353.47628
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Descriptors Computed from Structure

Canonical SMILES:

COC1CCCC(C1)(CS)C(=O)N.C1=CC=C(C=C1)CCC(=O)O


Isomeric SMILES

COC1CCCC(C1)(CS)C(=O)N.C1=CC=C(C=C1)CCC(=O)O


InChI

InChI=1S/C9H17NO2S.C9H10O2/c1-12-7-3-2-4-9(5-7,6-13)8(10)11;10-9(11)7-6-8-4-2-1-3-5-8/h7,13H,2-6H2,1H3,(H2,10,11);1-5H,6-7H2,(H,10,11)


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