phenyl 2-propan-2-yl-2,3,6,7-tetrahydroazepine-1-carboxylate

Systemtic Name: phenyl 2-propan-2-yl-2,3,6,7-tetrahydroazepine-1-carboxylate Openeye Name: phenyl 2-isopropyl-2,3,6,7-tetrahydroazepine-1-carboxylate CAS Name: 2-propan-2-yl-2,3,6,7-tetrahydroazepine-1-carboxylic acid phenyl ester IUPAC Name: phenyl 2-propan-2-yl-2,3,6,7-tetrahydroazepine-1-carboxylate Traditional Name: 2-isopropyl-2,3,6,7-tetrahydroazepine-1-carboxylic acid phenyl ester Formula: C16H21NO2 MolecularWeight: 259.34344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC=CCCN1C(=O)OC2=CC=CC=C2

Isomeric SMILES

CC(C)C1CC=CCCN1C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C16H21NO2/c1-13(2)15-11-7-4-8-12-17(15)16(18)19-14-9-5-3-6-10-14/h3-7,9-10,13,15H,8,11-12H2,1-2H3