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

Systemtic Name: (1R,2S)-2-[(2-hexoxy-3-methoxy-phenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[(2-hexoxy-3-methoxy-phenyl)methylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[[(2-hexoxy-3-methoxyphenyl)methylamino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[(2-hexoxy-3-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[(2-hexoxy-3-methoxy-benzyl)carbamoyl]cyclohexanecarboxylic acid Formula: C22H33NO5 MolecularWeight: 391.50112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=CC=C1OC)CNC(=O)C2CCCCC2C(=O)O

Isomeric SMILES

CCCCCCOC1=C(C=CC=C1OC)CNC(=O)[C@H]2CCCC[C@H]2C(=O)O

InChI

InChI=1S/C22H33NO5/c1-3-4-5-8-14-28-20-16(10-9-13-19(20)27-2)15-23-21(24)17-11-6-7-12-18(17)22(25)26/h9-10,13,17-18H,3-8,11-12,14-15H2,1-2H3,(H,23,24)(H,25,26)/t17-,18+/m0/s1