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(3S)-2-octanoyl-N-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

(3S)-2-octanoyl-N-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name:(3S)-2-octanoyl-N-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
Openeye Name:(3S)-2-octanoyl-N-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CAS Name:(3S)-2-(1-oxooctyl)-N-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
IUPAC Name:(3S)-2-octanoyl-N-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
Traditional Name:(3S)-2-caprylyl-N-mesityl-3,4-dihydro-1H-isoquinoline-3-carboxamide
Formula: C27H36N2O2
MolecularWeight: 420.58694
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=C(C=C(C=C3C)C)C


Isomeric SMILES

CCCCCCCC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC3=C(C=C(C=C3C)C)C


InChI

InChI=1S/C27H36N2O2/c1-5-6-7-8-9-14-25(30)29-18-23-13-11-10-12-22(23)17-24(29)27(31)28-26-20(3)15-19(2)16-21(26)4/h10-13,15-16,24H,5-9,14,17-18H2,1-4H3,(H,28,31)/t24-/m0/s1


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