methyl 2,5-di(propan-2-yl)azepine-1-carboxylate

Systemtic Name: methyl 2,5-di(propan-2-yl)azepine-1-carboxylate Openeye Name: methyl 2,5-diisopropylazepine-1-carboxylate CAS Name: 2,5-di(propan-2-yl)-1-azepinecarboxylic acid methyl ester IUPAC Name: methyl 2,5-di(propan-2-yl)azepine-1-carboxylate Traditional Name: 2,5-diisopropylazepine-1-carboxylic acid methyl ester Formula: C14H21NO2 MolecularWeight: 235.32204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(N(C=C1)C(=O)OC)C(C)C

Isomeric SMILES

CC(C)C1=CC=C(N(C=C1)C(=O)OC)C(C)C

InChI

InChI=1S/C14H21NO2/c1-10(2)12-6-7-13(11(3)4)15(9-8-12)14(16)17-5/h6-11H,1-5H3