Ethyl {[(7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-Hydroxyethyl]Amino}-5,6,7,8-Tetrahydro-2-Naphthalenyl]Oxy}Acetate

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Properties Simple | Detailed

Formula C22H26ClNO4
IUPAC Name ethyl 2-[(3s)-3-[[(2r)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]tetralin-6-yl]oxyacetate
Molecular Mass 403.899 g·mol−1
Heat of Formation -617.8 ± 16.7 kJ·mol−1
Dipole Moment 7.39 ± 1.08 D
Volume 477.1 Å 3
Surface Area 428.42 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(3s)-3-[[(2r)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]tetralin-6-yl]oxyacetic acid ethyl ester
  • 2-[[(3s)-3-[[(2r)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-6-tetralinyl]oxy]acetic acid ethyl ester
  • ethyl 2-[(3s)-3-[[(2r)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]tetralin-6-yl]oxyacetate
  • ethyl 2-[[(7s)-7-[[(2r)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethanoate
  • ethyl 2-[[(7s)-7-[[(2r)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate
InChIKey RDJQCOBTKKAQAH-FPOVZHCZSA-N
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Elements H C N O Cl