1-methyl-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid

Systemtic Name: 1-methyl-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid Openeye Name: 2-(benzyloxycarbonylamino)-1-methyl-cyclohexanecarboxylic acid CAS Name: 1-methyl-2-(phenylmethoxycarbonylamino)-1-cyclohexanecarboxylic acid IUPAC Name: 1-methyl-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid Traditional Name: 2-(benzyloxycarbonylamino)-1-methyl-cyclohexanecarboxylic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1NC(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1(CCCCC1NC(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H21NO4/c1-16(14(18)19)10-6-5-9-13(16)17-15(20)21-11-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,17,20)(H,18,19)