1-(2-ethylhexanoylamino)cycloheptane-1-carboxylic acid

Systemtic Name: 1-(2-ethylhexanoylamino)cycloheptane-1-carboxylic acid Openeye Name: 1-(2-ethylhexanoylamino)cycloheptanecarboxylic acid CAS Name: 1-[(2-ethyl-1-oxohexyl)amino]-1-cycloheptanecarboxylic acid IUPAC Name: 1-(2-ethylhexanoylamino)cycloheptane-1-carboxylic acid Traditional Name: 1-(2-ethylhexanoylamino)cycloheptanecarboxylic acid Formula: C16H29NO3 MolecularWeight: 283.40636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1(CCCCCC1)C(=O)O

Isomeric SMILES

CCCCC(CC)C(=O)NC1(CCCCCC1)C(=O)O

InChI

InChI=1S/C16H29NO3/c1-3-5-10-13(4-2)14(18)17-16(15(19)20)11-8-6-7-9-12-16/h13H,3-12H2,1-2H3,(H,17,18)(H,19,20)