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3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-4-(3-phenoxyphenyl)-, 2-phenylethyl ester

View entire compound with spectra: 2 NMR

3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-4-(3-phenoxyphenyl)-, 2-phenylethyl ester
SpectraBase Compound ID 2AN1WvcLL3v
InChI InChI=1S/C31H29NO4/c1-21-28(31(34)35-19-18-22-10-4-2-5-11-22)29(30-26(32-21)16-9-17-27(30)33)23-12-8-15-25(20-23)36-24-13-6-3-7-14-24/h2-8,10-15,20,29,32H,9,16-19H2,1H3
InChIKey SQYYFCSZHFAEKI-UHFFFAOYSA-N
Mol Weight 479.58 g/mol
Molecular Formula C31H29NO4
Exact Mass 479.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FVjJvjpmQkm
Name 3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-4-(3-phenoxyphenyl)-, 2-phenylethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 479.209658414 u
Formula C31H29NO4
InChI InChI=1S/C31H29NO4/c1-21-28(31(34)35-19-18-22-10-4-2-5-11-22)29(30-26(32-21)16-9-17-27(30)33)23-12-8-15-25(20-23)36-24-13-6-3-7-14-24/h2-8,10-15,20,29,32H,9,16-19H2,1H3
InChIKey SQYYFCSZHFAEKI-UHFFFAOYSA-N
Molecular Weight 479.576 g/mol
SMILES N1C(=C(C(C=2C(CCCC12)=O)C1=CC(OC2=CC=CC=C2)=CC=C1)C(=O)OCCC1=CC=CC=C1)C