(4-methoxyphenyl) 3,6-ditert-butylazepine-1-carboxylate

Systemtic Name: (4-methoxyphenyl) 3,6-ditert-butylazepine-1-carboxylate Openeye Name: (4-methoxyphenyl) 3,6-ditert-butylazepine-1-carboxylate CAS Name: 3,6-ditert-butyl-1-azepinecarboxylic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 3,6-ditert-butylazepine-1-carboxylate Traditional Name: 3,6-ditert-butylazepine-1-carboxylic acid (4-methoxyphenyl) ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CN(C=C(C=C1)C(C)(C)C)C(=O)OC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)C1=CN(C=C(C=C1)C(C)(C)C)C(=O)OC2=CC=C(C=C2)OC

InChI

InChI=1S/C22H29NO3/c1-21(2,3)16-8-9-17(22(4,5)6)15-23(14-16)20(24)26-19-12-10-18(25-7)11-13-19/h8-15H,1-7H3