Basic information
- Standard SMILES
COCc1nc(C(=O)NCC(=O)OCc2ccccc2)c(OCc2ccccc2)c2ccccc12- InChIKey
PPFSCWFTJOVJGO-UHFFFAOYSA-N- Molecular formula
- C28H26N2O5
- Average molar mass
- 470.5 g/mol
Names & identifiers
- Preferred name
- [(4-Benzyloxy-1-methoxymethyl-isoquinoline-3-carbonyl)-amino]-acetic acid benzyl ester
- IUPAC
- benzyl 2-[[1-(methoxymethyl)-4-phenylmethoxyisoquinoline-3-carbonyl]amino]acetate
Names & synonyms
SCHEMBL523030PPFSCWFTJOVJGO-UHFFFAOYSA-N[(4-Benzyloxy-1-methoxymethyl-isoquinoline-3-carbonyl)-amino]-acetic acid benzyl ester
Database identifiers
- PubChem CID
- 66712976
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 662
Related reactions
17 records
Compound notes
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