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3-{3-[2-(N'-Benzyl-N'-cyclopropanecarboxamidoethyl)indolyl]propyl}-N-benzyl-N-(2-indol-3-ylethyl)carboxamide
SpectraBase Compound ID EgidBdO7SCN
InChI InChI=1S/C42H44N4O2/c47-41(45(29-32-12-3-1-4-13-32)26-23-35-28-43-39-18-9-7-16-37(35)39)20-11-25-44-31-36(38-17-8-10-19-40(38)44)24-27-46(42(48)34-21-22-34)30-33-14-5-2-6-15-33/h1-10,12-19,28,31,34,43H,11,20-27,29-30H2
InChIKey YTQWDNAVKMMZDX-UHFFFAOYSA-N
Mol Weight 636.8 g/mol
Molecular Formula C42H44N4O2
Exact Mass 636.346427 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DGgvaDCgQZ2
Name 3-{3-[2-(N'-Benzyl-N'-cyclopropanecarboxamidoethyl)indolyl]propyl}-N-benzyl-N-(2-indol-3-ylethyl)carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 636.346426671 u
Formula C42H44N4O2
InChI InChI=1S/C42H44N4O2/c47-41(45(29-32-12-3-1-4-13-32)26-23-35-28-43-39-18-9-7-16-37(35)39)20-11-25-44-31-36(38-17-8-10-19-40(38)44)24-27-46(42(48)34-21-22-34)30-33-14-5-2-6-15-33/h1-10,12-19,28,31,34,43H,11,20-27,29-30H2
InChIKey YTQWDNAVKMMZDX-UHFFFAOYSA-N
Molecular Weight 636.840 g/mol
SMILES C=1N(C2=C(C1CCN(C(C1CC1)=O)CC1=CC=CC=C1)C=CC=C2)CCCC(N(CC1=CC=CC=C1)CCC1=CNC2=C1C=CC=C2)=O