Summary

Molecular formula: C20H25NO6
SMILES: OCCN1Cc2c(C1=O)cc(c(c2O)C/C=C(/CC/C=C(/C(=O)O)C)C)O
InChI: InChI=1S/C20H25NO6/c1-12(4-3-5-13(2)20(26)27)6-7-14-17(23)10-15-16(18(14)24)11-21(8-9-22)19(15)25/h5-6,10,22-24H,3-4,7-9,11H2,1-2H3,(H,26,27)/b12-6+,13-5+
InChIKey: WFUALHCWGPSZPU-YKNDAMCPSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1NCc2ccccc21

Scaffold Graph/Node level:
OC1NCC2CCCCC21

Scaffold Graph level:
CC1CCC2CCCCC12

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Chemical classification

Kingdom: Organic compounds
Super class: Organoheterocyclic compounds
Class: Isoindoles and derivatives
Sub class: Isoindolines

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Synonymous chemical names:
erinacerin d

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External chemical identifiers:
CID_101910490; NPATLAS_NPA006555; CHEMSPIDER_58969044; ZINC_ZINC000299870418

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Chemical structure download