methyl 3-[4-[2-[5-[cyclopropyl(methyl)amino]-4-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl]ethynyl]cyclohexa-2,4-dien-1-yl]-2-methylprop-2-enoate
Basic information
- Standard SMILES
COC(=O)C(C)=CC1C=CC(C#Cc2cc(OC)c3c(c2)C(C)(C)CCC3N(C)C2CC2)=CC1- InChIKey
FHFBXHSOAOCEJN-UHFFFAOYSA-N- Molecular formula
- C30H37NO3
- Average molar mass
- 459.6 g/mol
Names & identifiers
- Preferred name
- methyl 3-[4-[2-[5-[cyclopropyl(methyl)amino]-4-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl]ethynyl]cyclohexa-2,4-dien-1-yl]-2-methylprop-2-enoate
- IUPAC
- methyl 3-[4-[2-[5-[cyclopropyl(methyl)amino]-4-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl]ethynyl]cyclohexa-2,4-dien-1-yl]-2-methylprop-2-enoate
Names & synonyms
SCHEMBL4516880
Database identifiers
- PubChem CID
- 69075752
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 925
Related reactions
1 records
Compound notes
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