Summary

Molecular formula: C18H23NO6
SMILES: OCCN1Cc2c(C1=O)cc(c(c2O)C/C=C(/CCC(=O)OC)C)O
InChI: InChI=1S/C18H23NO6/c1-11(4-6-16(22)25-2)3-5-12-15(21)9-13-14(17(12)23)10-19(7-8-20)18(13)24/h3,9,20-21,23H,4-8,10H2,1-2H3/b11-3+
InChIKey: DSGSGFVHXMECPA-QDEBKDIKSA-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 i

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External chemical identifiers:
CID_101910495; NPATLAS_NPA000670; CHEMSPIDER_58968871; ZINC_ZINC000299858547

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Chemical structure download