tert-butyl 8-oxidanyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

Systemtic Name: tert-butyl 8-oxidanyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Openeye Name: tert-butyl 8-hydroxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate CAS Name: 8-hydroxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 8-hydroxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Traditional Name: 8-hydroxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid tert-butyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C=CC(=C2)O)C(C1)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C=CC(=C2)O)C(C1)C3=CC=CC=C3

InChI

InChI=1S/C21H25NO3/c1-21(2,3)25-20(24)22-12-11-16-13-17(23)9-10-18(16)19(14-22)15-7-5-4-6-8-15/h4-10,13,19,23H,11-12,14H2,1-3H3