tert-butyl (1S,6R)-4-[(4-bromophenyl)amino]-6-methyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: tert-butyl (1S,6R)-4-[(4-bromophenyl)amino]-6-methyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: tert-butyl (1S,6R)-4-(4-bromoanilino)-6-methyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-4-(4-bromoanilino)-6-methyl-2-oxo-1-cyclohex-3-enecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,6R)-4-(4-bromoanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-4-(4-bromoanilino)-2-keto-6-methyl-cyclohex-3-ene-1-carboxylic acid tert-butyl ester Formula: C18H22BrNO3 MolecularWeight: 380.27618

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC(=O)C1C(=O)OC(C)(C)C)NC2=CC=C(C=C2)Br

Isomeric SMILES

C[C@@H]1CC(=CC(=O)[C@H]1C(=O)OC(C)(C)C)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H22BrNO3/c1-11-9-14(20-13-7-5-12(19)6-8-13)10-15(21)16(11)17(22)23-18(2,3)4/h5-8,10-11,16,20H,9H2,1-4H3/t11-,16+/m1/s1