CHEBI:105941 - 1-[3-[(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-6-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3,4-dihydro-2H-pyran-4-yl]-1-indolyl]ethanone

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ChEBI Name 1-[3-[(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-6-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3,4-dihydro-2H-pyran-4-yl]-1-indolyl]ethanone
ChEBI ID CHEBI:105941
Stars This entity has been manually annotated by a third party.
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Formula C35H37N3O5
Net Charge 0
Average Mass 579.687
Monoisotopic Mass 579.27332
InChI InChI=1S/C35H37N3O5/c1-25(40)38-22-31(30-9-5-6-10-32(30)38)29-19-33(43-34(20-29)42-24-28-13-11-27(23-39)12-14-28)35(41)37-17-15-36(16-18-37)21-26-7-3-2-4-8-26/h2-14,19,22,29,34,39H,15-18,20-21,23-24H2,1H3/t29-,34+/m0/s1
InChIKey VTQGVLJZPVITEX-ZBWWXOROSA-N
SMILES CC(=O)N1C=C(C2=CC=CC=C21)[C@@H]3C[C@@H](OC(=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5)OCC6=CC=C(C=C6)CO
ChEBI Ontology
Outgoing 1-[3-[(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-6-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3,4-dihydro-2H-pyran-4-yl]-1-indolyl]ethanone (CHEBI:105941) is a indoles (CHEBI:24828)
Manual Xref Database
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