tert-butyl 8-bromanyl-5-(2-methoxy-2-oxidanylidene-ethyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate

Systemtic Name: tert-butyl 8-bromanyl-5-(2-methoxy-2-oxidanylidene-ethyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate Openeye Name: tert-butyl 8-bromo-5-(2-methoxy-2-oxo-ethyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate CAS Name: 8-bromo-5-(2-methoxy-2-oxoethyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 8-bromo-5-(2-methoxy-2-oxoethyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate Traditional Name: 8-bromo-5-(2-keto-2-methoxy-ethyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylic acid tert-butyl ester Formula: C18H24BrNO4 MolecularWeight: 398.29146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C2=C(C1)C=C(C=C2)Br)CC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C2=C(C1)C=C(C=C2)Br)CC(=O)OC

InChI

InChI=1S/C18H24BrNO4/c1-18(2,3)24-17(22)20-8-7-12(10-16(21)23-4)15-6-5-14(19)9-13(15)11-20/h5-6,9,12H,7-8,10-11H2,1-4H3