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

Systemtic Name: (1S,6R)-6-[(4-bromanyl-3-methyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[(4-bromo-3-methyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[(4-bromo-3-methylanilino)-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[(4-bromo-3-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[(4-bromo-3-methyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C15H15BrNO3- MolecularWeight: 337.1885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CC=CCC2C(=O)[O-])Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])Br

InChI

InChI=1S/C15H16BrNO3/c1-9-8-10(6-7-13(9)16)17-14(18)11-4-2-3-5-12(11)15(19)20/h2-3,6-8,11-12H,4-5H2,1H3,(H,17,18)(H,19,20)/p-1/t11-,12+/m1/s1