2-[butyl(carboxy)amino]-4-methyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 2-[butyl(carboxy)amino]-4-methyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: 2-[butyl(carboxy)amino]-4-methyl-cyclohex-3-ene-1-carboxylic acid CAS Name: 2-[butyl(carboxy)amino]-4-methyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: 2-[butyl(carboxy)amino]-4-methylcyclohex-3-ene-1-carboxylic acid Traditional Name: 2-[butyl(carboxy)amino]-4-methyl-cyclohex-3-ene-1-carboxylic acid Formula: C13H21NO4 MolecularWeight: 255.31014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1C=C(CCC1C(=O)O)C)C(=O)O

Isomeric SMILES

CCCCN(C1C=C(CCC1C(=O)O)C)C(=O)O

InChI

InChI=1S/C13H21NO4/c1-3-4-7-14(13(17)18)11-8-9(2)5-6-10(11)12(15)16/h8,10-11H,3-7H2,1-2H3,(H,15,16)(H,17,18)