Summary

Molecular formula: C18H21NO5
SMILES: C/C(=CCc1c(O)cc2c(c1O)CNC2=O)/CC/C=C(/C(=O)O)C
InChI: InChI=1S/C18H21NO5/c1-10(4-3-5-11(2)18(23)24)6-7-12-15(20)8-13-14(16(12)21)9-19-17(13)22/h5-6,8,20-21H,3-4,7,9H2,1-2H3,(H,19,22)(H,23,24)/b10-6+,11-5+
InChIKey: NPGOXHBMJMZANB-NVOKHFLUSA-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 c

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External chemical identifiers:
CID_101910489; NPATLAS_NPA008544; CHEMSPIDER_58968116; ZINC_ZINC000299865378

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Chemical structure download