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

Systemtic Name: (1R,2S)-2-[(4-hexoxy-3-methoxy-phenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[(4-hexoxy-3-methoxy-phenyl)methylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[[(4-hexoxy-3-methoxyphenyl)methylamino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[(4-hexoxy-3-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[(4-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=C(C=C1)CNC(=O)C2CCCCC2C(=O)O)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)CNC(=O)[C@H]2CCCC[C@H]2C(=O)O)OC

InChI

InChI=1S/C22H33NO5/c1-3-4-5-8-13-28-19-12-11-16(14-20(19)27-2)15-23-21(24)17-9-6-7-10-18(17)22(25)26/h11-12,14,17-18H,3-10,13,15H2,1-2H3,(H,23,24)(H,25,26)/t17-,18+/m0/s1