(1S,2R)-2-[2-(4-phenethyloxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2R)-2-[2-(4-phenethyloxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[2-(4-phenethyloxyphenyl)ethylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[oxo-[2-(4-phenethyloxyphenyl)ethylamino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[2-(4-phenethyloxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[2-(4-phenethyloxyphenyl)ethylcarbamoyl]cyclohexanecarboxylic acid Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCCC2=CC=C(C=C2)OCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NCCC2=CC=C(C=C2)OCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H29NO4/c26-23(21-8-4-5-9-22(21)24(27)28)25-16-14-19-10-12-20(13-11-19)29-17-15-18-6-2-1-3-7-18/h1-3,6-7,10-13,21-22H,4-5,8-9,14-17H2,(H,25,26)(H,27,28)/t21-,22+/m1/s1