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

Systemtic Name: (1S,6R)-6-[[4-bromanyl-2-(2-chlorophenyl)carbonyl-phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[[4-bromo-2-(2-chlorobenzoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[[4-bromo-2-[(2-chlorophenyl)-oxomethyl]anilino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[[4-bromo-2-(2-chlorobenzoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[[4-bromo-2-(2-chlorobenzoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C21H16BrClNO4- MolecularWeight: 461.71304

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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=C3Cl)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=C3Cl)C(=O)[O-]

InChI

InChI=1S/C21H17BrClNO4/c22-12-9-10-18(16(11-12)19(25)15-7-3-4-8-17(15)23)24-20(26)13-5-1-2-6-14(13)21(27)28/h1-4,7-11,13-14H,5-6H2,(H,24,26)(H,27,28)/p-1/t13-,14+/m1/s1