(3R,4R)-3-(4-chlorophenyl)-2-cyclohexyl-4-methyl-1-oxidanylidene-3H-isoquinoline-4-carboxylic acid

Systemtic Name: (3R,4R)-3-(4-chlorophenyl)-2-cyclohexyl-4-methyl-1-oxidanylidene-3H-isoquinoline-4-carboxylic acid Openeye Name: (3R,4R)-3-(4-chlorophenyl)-2-cyclohexyl-4-methyl-1-oxo-3H-isoquinoline-4-carboxylic acid CAS Name: (3R,4R)-3-(4-chlorophenyl)-2-cyclohexyl-4-methyl-1-oxo-3H-isoquinoline-4-carboxylic acid IUPAC Name: (3R,4R)-3-(4-chlorophenyl)-2-cyclohexyl-4-methyl-1-oxo-3H-isoquinoline-4-carboxylic acid Traditional Name: (3R,4R)-3-(4-chlorophenyl)-2-cyclohexyl-1-keto-4-methyl-3H-isoquinoline-4-carboxylic acid Formula: C23H24ClNO3 MolecularWeight: 397.89456

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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)Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClNO3/c1-23(22(27)28)19-10-6-5-9-18(19)21(26)25(17-7-3-2-4-8-17)20(23)15-11-13-16(24)14-12-15/h5-6,9-14,17,20H,2-4,7-8H2,1H3,(H,27,28)/t20-,23-/m1/s1