4-methoxy-1-(2-oxidanylidene-1-sulfanyl-propyl)cyclohexane-1-carboxamide; 3-phenylpropanoic acid

Systemtic Name: 4-methoxy-1-(2-oxidanylidene-1-sulfanyl-propyl)cyclohexane-1-carboxamide; 3-phenylpropanoic acid Openeye Name: 4-methoxy-1-(2-oxo-1-sulfanyl-propyl)cyclohexanecarboxamide; 3-phenylpropanoic acid CAS Name: 1-(1-mercapto-2-oxopropyl)-4-methoxy-1-cyclohexanecarboxamide; 3-phenylpropanoic acid IUPAC Name: 4-methoxy-1-(2-oxo-1-sulfanylpropyl)cyclohexane-1-carboxamide; 3-phenylpropanoic acid Traditional Name: hydrocinnamic acid; 1-(2-keto-1-mercapto-propyl)-4-methoxy-cyclohexanecarboxamide Formula: C20H29NO5S MolecularWeight: 395.51296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1(CCC(CC1)OC)C(=O)N)S.C1=CC=C(C=C1)CCC(=O)O

Isomeric SMILES

CC(=O)C(C1(CCC(CC1)OC)C(=O)N)S.C1=CC=C(C=C1)CCC(=O)O

InChI

InChI=1S/C11H19NO3S.C9H10O2/c1-7(13)9(16)11(10(12)14)5-3-8(15-2)4-6-11;10-9(11)7-6-8-4-2-1-3-5-8/h8-9,16H,3-6H2,1-2H3,(H2,12,14);1-5H,6-7H2,(H,10,11)