Summary

Molecular formula: C26H29NO5
SMILES: C/C(=CCc1c(O)cc2c(c1O)CN(C2=O)CCc1ccccc1)/CC/C=C(/C(=O)O)C
InChI: InChI=1S/C26H29NO5/c1-17(7-6-8-18(2)26(31)32)11-12-20-23(28)15-21-22(24(20)29)16-27(25(21)30)14-13-19-9-4-3-5-10-19/h3-5,8-11,15,28-29H,6-7,12-14,16H2,1-2H3,(H,31,32)/b17-11+,18-8+
InChIKey: RCSZDHOTYXTJOY-HVIJAGLHSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2CN1CCc1ccccc1

Scaffold Graph/Node level:
OC1C2CCCCC2CN1CCC1CCCCC1

Scaffold Graph level:
CC1C(CCC2CCCCC2)CC2CCCCC21

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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 q

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External chemical identifiers:
CID_132599515; NPATLAS_NPA018303; CHEMSPIDER_78435092

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Chemical structure download