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

Systemtic Name: (1S,3R)-1,3,5-trimethyl-5-(phenethylcarbamoyl)cyclohexane-1,3-dicarboxylic acid Openeye Name: (1S,3R)-1,3,5-trimethyl-5-(phenethylcarbamoyl)cyclohexane-1,3-dicarboxylic acid CAS Name: (1S,3R)-1,3,5-trimethyl-5-[oxo-(phenethylamino)methyl]cyclohexane-1,3-dicarboxylic acid IUPAC Name: (1S,3R)-1,3,5-trimethyl-5-(phenethylcarbamoyl)cyclohexane-1,3-dicarboxylic acid Traditional Name: (1S,3R)-1,3,5-trimethyl-5-(phenethylcarbamoyl)cyclohexane-1,3-dicarboxylic acid Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO5/c1-18(15(22)21-10-9-14-7-5-4-6-8-14)11-19(2,16(23)24)13-20(3,12-18)17(25)26/h4-8H,9-13H2,1-3H3,(H,21,22)(H,23,24)(H,25,26)/t18?,19-,20+