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(3S,4R)-2-cyclohexyl-3-(3-fluorophenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

(3S,4R)-2-cyclohexyl-3-(3-fluorophenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name:(3S,4R)-2-cyclohexyl-3-(3-fluorophenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid
Openeye Name:(3S,4R)-2-cyclohexyl-3-(3-fluorophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CAS Name:(3S,4R)-2-cyclohexyl-3-(3-fluorophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
IUPAC Name:(3S,4R)-2-cyclohexyl-3-(3-fluorophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
Traditional Name:(3S,4R)-2-cyclohexyl-3-(3-fluorophenyl)-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid
Formula: C22H22FNO3
MolecularWeight: 367.413383
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(C(C3=CC=CC=C3C2=O)C(=O)O)C4=CC(=CC=C4)F


Isomeric SMILES

C1CCC(CC1)N2[C@@H]([C@@H](C3=CC=CC=C3C2=O)C(=O)O)C4=CC(=CC=C4)F


InChI

InChI=1S/C22H22FNO3/c23-15-8-6-7-14(13-15)20-19(22(26)27)17-11-4-5-12-18(17)21(25)24(20)16-9-2-1-3-10-16/h4-8,11-13,16,19-20H,1-3,9-10H2,(H,26,27)/t19-,20-/m1/s1


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