(1S,3R,5R)-3-methoxycarbonyl-1,3,5-trimethyl-5-(phenethylcarbamoyl)cyclohexane-1-carboxylic acid

Systemtic Name: (1S,3R,5R)-3-methoxycarbonyl-1,3,5-trimethyl-5-(phenethylcarbamoyl)cyclohexane-1-carboxylic acid Openeye Name: (1S,3R,5R)-3-methoxycarbonyl-1,3,5-trimethyl-5-(phenethylcarbamoyl)cyclohexanecarboxylic acid CAS Name: (1S,3R,5R)-3-methoxycarbonyl-1,3,5-trimethyl-5-[oxo-(phenethylamino)methyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,3R,5R)-3-methoxycarbonyl-1,3,5-trimethyl-5-(phenethylcarbamoyl)cyclohexane-1-carboxylic acid Traditional Name: (1S,3R,5R)-3-carbomethoxy-1,3,5-trimethyl-5-(phenethylcarbamoyl)cyclohexanecarboxylic acid Formula: C21H29NO5 MolecularWeight: 375.45866

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(C1)(C)C(=O)OC)(C)C(=O)O)C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

C[C@]1(C[C@](C[C@](C1)(C)C(=O)OC)(C)C(=O)O)C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C21H29NO5/c1-19(16(23)22-11-10-15-8-6-5-7-9-15)12-20(2,17(24)25)14-21(3,13-19)18(26)27-4/h5-9H,10-14H2,1-4H3,(H,22,23)(H,24,25)/t19-,20+,21-/m1/s1