1-[(1S,2S,6R)-4-[(4-bromophenyl)amino]-3-ethanoyl-6-methyl-6-oxidanyl-2-phenyl-cyclohex-3-en-1-yl]ethanone

Systemtic Name: 1-[(1S,2S,6R)-4-[(4-bromophenyl)amino]-3-ethanoyl-6-methyl-6-oxidanyl-2-phenyl-cyclohex-3-en-1-yl]ethanone Openeye Name: 1-[(1S,2S,6R)-3-acetyl-4-(4-bromoanilino)-6-hydroxy-6-methyl-2-phenyl-cyclohex-3-en-1-yl]ethanone CAS Name: 1-[(1S,2S,6R)-3-acetyl-4-(4-bromoanilino)-6-hydroxy-6-methyl-2-phenyl-1-cyclohex-3-enyl]ethanone IUPAC Name: 1-[(1S,2S,6R)-3-acetyl-4-(4-bromoanilino)-6-hydroxy-6-methyl-2-phenylcyclohex-3-en-1-yl]ethanone Traditional Name: 1-[(1S,2S,6R)-3-acetyl-4-(4-bromoanilino)-6-hydroxy-6-methyl-2-phenyl-cyclohex-3-en-1-yl]ethanone Formula: C23H24BrNO3 MolecularWeight: 442.34556

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(C(=C(CC1(C)O)NC2=CC=C(C=C2)Br)C(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC(=O)[C@H]1[C@H](C(=C(C[C@@]1(C)O)NC2=CC=C(C=C2)Br)C(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C23H24BrNO3/c1-14(26)20-19(25-18-11-9-17(24)10-12-18)13-23(3,28)22(15(2)27)21(20)16-7-5-4-6-8-16/h4-12,21-22,25,28H,13H2,1-3H3/t21-,22-,23+/m0/s1