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

Systemtic Name: 4-methoxy-1-(sulfanylmethyl)cyclohexane-1-carboxamide; 3-phenylpropanoic acid Openeye Name: 4-methoxy-1-(sulfanylmethyl)cyclohexanecarboxamide; 3-phenylpropanoic acid CAS Name: 1-(mercaptomethyl)-4-methoxy-1-cyclohexanecarboxamide; 3-phenylpropanoic acid IUPAC Name: 4-methoxy-1-(sulfanylmethyl)cyclohexane-1-carboxamide; 3-phenylpropanoic acid Traditional Name: hydrocinnamic acid; 1-(mercaptomethyl)-4-methoxy-cyclohexanecarboxamide Formula: C18H27NO4S MolecularWeight: 353.47628

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC(CC1)(CS)C(=O)N.C1=CC=C(C=C1)CCC(=O)O

Isomeric SMILES

COC1CCC(CC1)(CS)C(=O)N.C1=CC=C(C=C1)CCC(=O)O

InChI

InChI=1S/C9H17NO2S.C9H10O2/c1-12-7-2-4-9(6-13,5-3-7)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)