(1R,6R)-6-(4-bromophenyl)-4-methyl-1-[(phenylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6R)-6-(4-bromophenyl)-4-methyl-1-[(phenylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6R)-1-(benzylcarbamoyl)-6-(4-bromophenyl)-4-methyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6R)-6-(4-bromophenyl)-4-methyl-1-[oxo-[(phenylmethyl)amino]methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6R)-1-(benzylcarbamoyl)-6-(4-bromophenyl)-4-methylcyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6R)-1-(benzylcarbamoyl)-6-(4-bromophenyl)-4-methyl-cyclohex-3-ene-1-carboxylic acid Formula: C22H22BrNO3 MolecularWeight: 428.31898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(C1)C2=CC=C(C=C2)Br)(C(=O)NCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC[C@@]([C@H](C1)C2=CC=C(C=C2)Br)(C(=O)NCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H22BrNO3/c1-15-11-12-22(21(26)27,19(13-15)17-7-9-18(23)10-8-17)20(25)24-14-16-5-3-2-4-6-16/h2-11,19H,12-14H2,1H3,(H,24,25)(H,26,27)/t19-,22-/m1/s1