[7-(4-tert-Butoxycarbonylaminobutoxy)-1-benzyl-2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl]acetic Acid Methyl Ester

HCID 69979392

Notes Reactions

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Basic information

Standard SMILES: COC(=O)CC1Cc2ccc(OCCCCNC(=O)OC(C)(C)C)cc2N(Cc2ccccc2)C1=O
InChIKey: UFFWFNNOJCWCPH-UHFFFAOYSA-N
Molecular formula: C28H36N2O6
Average molar mass: 496.6 g/mol
Monoisotopic mass: 496.25733687

Names & identifiers

Preferred name: [7-(4-tert-Butoxycarbonylaminobutoxy)-1-benzyl-2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl]acetic Acid Methyl Ester
IUPAC: methyl 2-[1-benzyl-7-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]-2-oxo-3,4-dihydroquinolin-3-yl]acetate

Names & synonyms

SCHEMBL7075553UFFWFNNOJCWCPH-UHFFFAOYSA-N[7-(4-tert-Butoxycarbonylaminobutoxy)-1-benzyl-2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl]acetic Acid Methyl Ester

Database identifiers

PubChem CID: 69979392

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 94.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 13
Heavy atoms: 36
Formal charge: 0
Complexity: 730

Related reactions

4 records

New reaction record

HRID 205217As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 690217As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 2301998As productuspto-grants-2002_08

HRID 2302000As reactantuspto-grants-2002_08

Compound notes

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