6-[[4-bromanyl-2-(phenylcarbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[4-bromanyl-2-(phenylcarbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(2-benzoyl-4-bromo-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[(2-benzoyl-4-bromoanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(2-benzoyl-4-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(2-benzoyl-4-bromo-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C21H18BrNO4 MolecularWeight: 428.27592

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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=CCC(C1C(=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)