(1-aminocarbonyl-4-methoxy-cyclohexyl)methyl methanesulfonate; 3-phenylpropanoic acid

Systemtic Name: (1-aminocarbonyl-4-methoxy-cyclohexyl)methyl methanesulfonate; 3-phenylpropanoic acid Openeye Name: (1-carbamoyl-4-methoxy-cyclohexyl)methyl methanesulfonate; 3-phenylpropanoic acid CAS Name: methanesulfonic acid (1-carbamoyl-4-methoxycyclohexyl)methyl ester; 3-phenylpropanoic acid IUPAC Name: (1-carbamoyl-4-methoxycyclohexyl)methyl methanesulfonate; 3-phenylpropanoic acid Traditional Name: hydrocinnamic acid; methanesulfonic acid (1-carbamoyl-4-methoxy-cyclohexyl)methyl ester Formula: C19H29NO7S MolecularWeight: 415.50106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H19NO5S.C9H10O2/c1-15-8-3-5-10(6-4-8,9(11)12)7-16-17(2,13)14;10-9(11)7-6-8-4-2-1-3-5-8/h8H,3-7H2,1-2H3,(H2,11,12);1-5H,6-7H2,(H,10,11)