(3R,4R)-3-[3,4-bis(bromanyl)phenyl]-2-cyclohexyl-4-methyl-1-oxidanylidene-3H-isoquinoline-4-carboxylic acid

Systemtic Name: (3R,4R)-3-[3,4-bis(bromanyl)phenyl]-2-cyclohexyl-4-methyl-1-oxidanylidene-3H-isoquinoline-4-carboxylic acid Openeye Name: (3R,4R)-2-cyclohexyl-3-(3,4-dibromophenyl)-4-methyl-1-oxo-3H-isoquinoline-4-carboxylic acid CAS Name: (3R,4R)-2-cyclohexyl-3-(3,4-dibromophenyl)-4-methyl-1-oxo-3H-isoquinoline-4-carboxylic acid IUPAC Name: (3R,4R)-2-cyclohexyl-3-(3,4-dibromophenyl)-4-methyl-1-oxo-3H-isoquinoline-4-carboxylic acid Traditional Name: (3R,4R)-2-cyclohexyl-3-(3,4-dibromophenyl)-1-keto-4-methyl-3H-isoquinoline-4-carboxylic acid Formula: C23H23Br2NO3 MolecularWeight: 521.24162

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(C(=O)C2=CC=CC=C21)C3CCCCC3)C4=CC(=C(C=C4)Br)Br)C(=O)O

Isomeric SMILES

C[C@@]1([C@H](N(C(=O)C2=CC=CC=C21)C3CCCCC3)C4=CC(=C(C=C4)Br)Br)C(=O)O

InChI

InChI=1S/C23H23Br2NO3/c1-23(22(28)29)17-10-6-5-9-16(17)21(27)26(15-7-3-2-4-8-15)20(23)14-11-12-18(24)19(25)13-14/h5-6,9-13,15,20H,2-4,7-8H2,1H3,(H,28,29)/t20-,23-/m1/s1