ethyl 7-tert-butyl-3-phenyl-4a-pyrrolidin-1-yl-6,7,8,8a-tetrahydro-5H-4,1,2-benzoxadiazine-1-carboxylate

Systemtic Name: ethyl 7-tert-butyl-3-phenyl-4a-pyrrolidin-1-yl-6,7,8,8a-tetrahydro-5H-4,1,2-benzoxadiazine-1-carboxylate Openeye Name: ethyl 7-tert-butyl-3-phenyl-4a-pyrrolidin-1-yl-6,7,8,8a-tetrahydro-5H-4,1,2-benzoxadiazine-1-carboxylate CAS Name: 7-tert-butyl-3-phenyl-4a-(1-pyrrolidinyl)-6,7,8,8a-tetrahydro-5H-4,1,2-benzoxadiazine-1-carboxylic acid ethyl ester IUPAC Name: ethyl 7-tert-butyl-3-phenyl-4a-pyrrolidin-1-yl-6,7,8,8a-tetrahydro-5H-4,1,2-benzoxadiazine-1-carboxylate Traditional Name: 7-tert-butyl-3-phenyl-4a-pyrrolidino-6,7,8,8a-tetrahydro-5H-4,1,2-benzoxadiazine-1-carboxylic acid ethyl ester Formula: C24H35N3O3 MolecularWeight: 413.553

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2CC(CCC2(OC(=N1)C3=CC=CC=C3)N4CCCC4)C(C)(C)C

Isomeric SMILES

CCOC(=O)N1C2CC(CCC2(OC(=N1)C3=CC=CC=C3)N4CCCC4)C(C)(C)C

InChI

InChI=1S/C24H35N3O3/c1-5-29-22(28)27-20-17-19(23(2,3)4)13-14-24(20,26-15-9-10-16-26)30-21(25-27)18-11-7-6-8-12-18/h6-8,11-12,19-20H,5,9-10,13-17H2,1-4H3