ethyl 2,2,7-trimethylazepane-1-carboxylate; 2-methylprop-2-enoic acid

Systemtic Name: ethyl 2,2,7-trimethylazepane-1-carboxylate; 2-methylprop-2-enoic acid Openeye Name: ethyl 2,2,7-trimethylazepane-1-carboxylate; 2-methylprop-2-enoic acid CAS Name: 2-methyl-2-propenoic acid; 2,2,7-trimethyl-1-azepanecarboxylic acid ethyl ester IUPAC Name: ethyl 2,2,7-trimethylazepane-1-carboxylate; 2-methylprop-2-enoic acid Traditional Name: methacrylic acid; 2,2,7-trimethylazepane-1-carboxylic acid ethyl ester Formula: C20H35NO6 MolecularWeight: 385.495

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(CCCCC1(C)C)C.CC(=C)C(=O)O.CC(=C)C(=O)O

Isomeric SMILES

CCOC(=O)N1C(CCCCC1(C)C)C.CC(=C)C(=O)O.CC(=C)C(=O)O

InChI

InChI=1S/C12H23NO2.2C4H6O2/c1-5-15-11(14)13-10(2)8-6-7-9-12(13,3)4;2*1-3(2)4(5)6/h10H,5-9H2,1-4H3;2*1H2,2H3,(H,5,6)