1-(hydroxymethyl)-4-methoxy-cyclohexane-1-carboxamide; 2-phenylpropanoic acid

Systemtic Name: 1-(hydroxymethyl)-4-methoxy-cyclohexane-1-carboxamide; 2-phenylpropanoic acid Openeye Name: 1-(hydroxymethyl)-4-methoxy-cyclohexanecarboxamide; 2-phenylpropanoic acid CAS Name: 1-(hydroxymethyl)-4-methoxy-1-cyclohexanecarboxamide; 2-phenylpropanoic acid IUPAC Name: 1-(hydroxymethyl)-4-methoxycyclohexane-1-carboxamide; 2-phenylpropanoic acid Traditional Name: hydratropic acid; 4-methoxy-1-methylol-cyclohexanecarboxamide Formula: C18H27NO5 MolecularWeight: 337.41068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=O)O.COC1CCC(CC1)(CO)C(=O)N

Isomeric SMILES

CC(C1=CC=CC=C1)C(=O)O.COC1CCC(CC1)(CO)C(=O)N

InChI

InChI=1S/C9H17NO3.C9H10O2/c1-13-7-2-4-9(6-11,5-3-7)8(10)12;1-7(9(10)11)8-5-3-2-4-6-8/h7,11H,2-6H2,1H3,(H2,10,12);2-7H,1H3,(H,10,11)