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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025441

ethyl 4-[3-[2-[(1R,2R,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-yl]ethyl]-2-cyanopyrrol-1-yl]butanoate

Formula: C27H42N2O3  |  Mol. Weight: 442.60 g/mol

IUPAC: ethyl 4-[3-[2-[(1R,2R,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-yl]ethyl]-2-cyanopyrrol-1-yl]butanoate

Overview

Molecular Formula C27H42N2O3
Molecular Weight 442.60 g/mol
Canonical SMILES CCOC(=O)CCCN1C=CC(=C1C#N)CCC2(C(CCC3C2(CCCC3(C)C)C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy