[[(1R,4R,7R)-7-(bromomethyl)-4,7-dimethyl-3-bicyclo[2.2.1]hept-2-enyl]amino] 4-methylbenzoate

Systemtic Name: [[(1R,4R,7R)-7-(bromomethyl)-4,7-dimethyl-3-bicyclo[2.2.1]hept-2-enyl]amino] 4-methylbenzoate Openeye Name: [[(1R,4R,7R)-7-(bromomethyl)-4,7-dimethyl-3-bicyclo[2.2.1]hept-2-enyl]amino] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [[(1R,4R,7R)-7-(bromomethyl)-4,7-dimethyl-3-bicyclo[2.2.1]hept-2-enyl]amino] ester IUPAC Name: [[(1R,4R,7R)-7-(bromomethyl)-4,7-dimethyl-3-bicyclo[2.2.1]hept-2-enyl]amino] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [[(1R,4R,7R)-7-(bromomethyl)-4,7-dimethyl-3-bicyclo[2.2.1]hept-2-enyl]amino] ester Formula: C18H22BrNO2 MolecularWeight: 364.27678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)ONC2=CC3CCC2(C3(C)CBr)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)ONC2=C[C@H]3CC[C@@]2([C@]3(C)CBr)C

InChI

InChI=1S/C18H22BrNO2/c1-12-4-6-13(7-5-12)16(21)22-20-15-10-14-8-9-17(15,2)18(14,3)11-19/h4-7,10,14,20H,8-9,11H2,1-3H3/t14-,17+,18-/m1/s1