(1R,2S)-2-[(3-methoxy-4-pentoxy-phenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[(3-methoxy-4-pentoxy-phenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[(3-methoxy-4-pentoxy-phenyl)methylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[[(3-methoxy-4-pentoxyphenyl)methylamino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[(3-methoxy-4-pentoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[(4-amoxy-3-methoxy-benzyl)carbamoyl]cyclohexanecarboxylic acid Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)CNC(=O)C2CCCCC2C(=O)O)OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)CNC(=O)[C@H]2CCCC[C@H]2C(=O)O)OC

InChI

InChI=1S/C21H31NO5/c1-3-4-7-12-27-18-11-10-15(13-19(18)26-2)14-22-20(23)16-8-5-6-9-17(16)21(24)25/h10-11,13,16-17H,3-9,12,14H2,1-2H3,(H,22,23)(H,24,25)/t16-,17+/m0/s1