(1R,6R)-6-(2-bromophenyl)cyclohex-3-ene-1-carboxylic acid; (1R)-1-phenylethanamine

Systemtic Name: (1R,6R)-6-(2-bromophenyl)cyclohex-3-ene-1-carboxylic acid; (1R)-1-phenylethanamine Openeye Name: (1R,6R)-6-(2-bromophenyl)cyclohex-3-ene-1-carboxylic acid; (1R)-1-phenylethanamine CAS Name: (1R,6R)-6-(2-bromophenyl)-1-cyclohex-3-enecarboxylic acid; (1R)-1-phenylethanamine IUPAC Name: (1R,6R)-6-(2-bromophenyl)cyclohex-3-ene-1-carboxylic acid; (1R)-1-phenylethanamine Traditional Name: (1R,6R)-6-(2-bromophenyl)cyclohex-3-ene-1-carboxylic acid; [(1R)-1-phenylethyl]amine Formula: C21H24BrNO2 MolecularWeight: 402.32476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N.C1C=CCC(C1C2=CC=CC=C2Br)C(=O)O

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N.C1C=CC[C@H]([C@@H]1C2=CC=CC=C2Br)C(=O)O

InChI

InChI=1S/C13H13BrO2.C8H11N/c14-12-8-4-3-6-10(12)9-5-1-2-7-11(9)13(15)16;1-7(9)8-5-3-2-4-6-8/h1-4,6,8-9,11H,5,7H2,(H,15,16);2-7H,9H2,1H3/t9-,11+;7-/m01/s1