(1S,6R)-6-[[4-bromanyl-2-(phenylcarbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-[[4-bromanyl-2-(phenylcarbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[(2-benzoyl-4-bromo-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[(2-benzoyl-4-bromoanilino)-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[(2-benzoyl-4-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[(2-benzoyl-4-bromo-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C21H17BrNO4- MolecularWeight: 427.26798

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@@H]([C@@H]1C(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C21H18BrNO4/c22-14-10-11-18(17(12-14)19(24)13-6-2-1-3-7-13)23-20(25)15-8-4-5-9-16(15)21(26)27/h1-7,10-12,15-16H,8-9H2,(H,23,25)(H,26,27)/p-1/t15-,16+/m1/s1