cyclopropylmethyl 3,6-ditert-butylazepine-1-carboxylate

Systemtic Name: cyclopropylmethyl 3,6-ditert-butylazepine-1-carboxylate Openeye Name: cyclopropylmethyl 3,6-ditert-butylazepine-1-carboxylate CAS Name: 3,6-ditert-butyl-1-azepinecarboxylic acid cyclopropylmethyl ester IUPAC Name: cyclopropylmethyl 3,6-ditert-butylazepine-1-carboxylate Traditional Name: 3,6-ditert-butylazepine-1-carboxylic acid cyclopropylmethyl ester Formula: C19H29NO2 MolecularWeight: 303.43906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CN(C=C(C=C1)C(C)(C)C)C(=O)OCC2CC2

Isomeric SMILES

CC(C)(C)C1=CN(C=C(C=C1)C(C)(C)C)C(=O)OCC2CC2

InChI

InChI=1S/C19H29NO2/c1-18(2,3)15-9-10-16(19(4,5)6)12-20(11-15)17(21)22-13-14-7-8-14/h9-12,14H,7-8,13H2,1-6H3