Summary

Molecular formula: C16H19NO5
SMILES: COC(=O)CC/C(=C/Cc1c(O)cc2c(c1O)CNC2=O)/C
InChI: InChI=1S/C16H19NO5/c1-9(4-6-14(19)22-2)3-5-10-13(18)7-11-12(15(10)20)8-17-16(11)21/h3,7,18,20H,4-6,8H2,1-2H3,(H,17,21)/b9-3+
InChIKey: GVBFMJNDFYWETC-YCRREMRBSA-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 g

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External chemical identifiers:
CID_101910493; NPATLAS_NPA017398; CHEMSPIDER_58969045; ZINC_ZINC000299860611

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Chemical structure download