Summary

Molecular formula: C22H26N2O6
SMILES: OCc1cc(=O)c(cn1[C@@H](C(C)C)N=C([C@H](Cc1ccccc1)O)C(=O)O)C(=O)C
InChI: InChI=1S/C22H26N2O6/c1-13(2)21(24-11-17(14(3)26)18(27)10-16(24)12-25)23-20(22(29)30)19(28)9-15-7-5-4-6-8-15/h4-8,10-11,13,19,21,25,28H,9,12H2,1-3H3,(H,29,30)/t19-,21-/m0/s1
InChIKey: NLTBWOYMJODYQC-FPOVZHCZSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccn(CN=CCCc2ccccc2)cc1

Scaffold Graph/Node level:
OC1CCN(CNCCCC2CCCCC2)CC1

Scaffold Graph level:
CC1CCC(CCCCCC2CCCCC2)CC1

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Chemical classification

Kingdom: Organic compounds
Super class: Organic oxygen compounds
Class: Organooxygen compounds
Sub class: Carbonyl compounds

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Synonymous chemical names:
erinacerin p

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External chemical identifiers:
CID_132599514; NPATLAS_NPA012883; CHEMSPIDER_78437804

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Chemical structure download