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

Systemtic Name: 4-methoxy-1-(phenylmethoxymethyl)cyclohexane-1-carboxamide; 3-phenylpropanoic acid Openeye Name: 1-(benzyloxymethyl)-4-methoxy-cyclohexanecarboxamide; 3-phenylpropanoic acid CAS Name: 4-methoxy-1-(phenylmethoxymethyl)-1-cyclohexanecarboxamide; 3-phenylpropanoic acid IUPAC Name: 4-methoxy-1-(phenylmethoxymethyl)cyclohexane-1-carboxamide; 3-phenylpropanoic acid Traditional Name: 1-(benzoxymethyl)-4-methoxy-cyclohexanecarboxamide; hydrocinnamic acid Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC(CC1)(COCC2=CC=CC=C2)C(=O)N.C1=CC=C(C=C1)CCC(=O)O

Isomeric SMILES

COC1CCC(CC1)(COCC2=CC=CC=C2)C(=O)N.C1=CC=C(C=C1)CCC(=O)O

InChI

InChI=1S/C16H23NO3.C9H10O2/c1-19-14-7-9-16(10-8-14,15(17)18)12-20-11-13-5-3-2-4-6-13;10-9(11)7-6-8-4-2-1-3-5-8/h2-6,14H,7-12H2,1H3,(H2,17,18);1-5H,6-7H2,(H,10,11)