ditert-butyl (3R)-8-methoxy-2-oxidanylidene-4,5-dihydro-3H-1-benzazepine-1,3-dicarboxylate

Systemtic Name: ditert-butyl (3R)-8-methoxy-2-oxidanylidene-4,5-dihydro-3H-1-benzazepine-1,3-dicarboxylate Openeye Name: ditert-butyl (3R)-8-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepine-1,3-dicarboxylate CAS Name: (3R)-8-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepine-1,3-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (3R)-8-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepine-1,3-dicarboxylate Traditional Name: (3R)-2-keto-8-methoxy-4,5-dihydro-3H-1-benzazepine-1,3-dicarboxylic acid ditert-butyl ester Formula: C21H29NO6 MolecularWeight: 391.45806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCC2=C(C=C(C=C2)OC)N(C1=O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1CCC2=C(C=C(C=C2)OC)N(C1=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H29NO6/c1-20(2,3)27-18(24)15-11-9-13-8-10-14(26-7)12-16(13)22(17(15)23)19(25)28-21(4,5)6/h8,10,12,15H,9,11H2,1-7H3/t15-/m1/s1