O1-tert-butyl O4-methyl 7-bromanyl-2,3-dihydro-1-benzazepine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-methyl 7-bromanyl-2,3-dihydro-1-benzazepine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-methyl 7-bromo-2,3-dihydro-1-benzazepine-1,4-dicarboxylate CAS Name: 7-bromo-2,3-dihydro-1-benzazepine-1,4-dicarboxylic acid O1-tert-butyl ester O4-methyl ester IUPAC Name: 1-O-tert-butyl 4-O-methyl 7-bromo-2,3-dihydro-1-benzazepine-1,4-dicarboxylate Traditional Name: 7-bromo-2,3-dihydro-1-benzazepine-1,4-dicarboxylic acid O1-tert-butyl ester O4-methyl ester Formula: C17H20BrNO4 MolecularWeight: 382.249

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(=CC2=C1C=CC(=C2)Br)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(=CC2=C1C=CC(=C2)Br)C(=O)OC

InChI

InChI=1S/C17H20BrNO4/c1-17(2,3)23-16(21)19-8-7-11(15(20)22-4)9-12-10-13(18)5-6-14(12)19/h5-6,9-10H,7-8H2,1-4H3