4-[3-methoxy-3-oxo-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propyl]phenyl 4-chlorobenzenecarboxylate

HCID 3778596

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Basic information

CAS: 477890-05-4
Standard SMILES: COC(=O)C(Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1)N1Cc2ccccc2C1=O
InChIKey: TTYVGDSSJWSNPR-UHFFFAOYSA-N
Molecular formula: C25H20ClNO5
Average molar mass: 449.9 g/mol
Monoisotopic mass: 449.1030004

Names & identifiers

Preferred name: 4-[3-methoxy-3-oxo-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propyl]phenyl 4-chlorobenzenecarboxylate
IUPAC: [4-[3-methoxy-3-oxo-2-(3-oxo-1H-isoindol-2-yl)propyl]phenyl] 4-chlorobenzoate

Names & synonyms

477890-05-44-[3-methoxy-3-oxo-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propyl]phenyl 4-chlorobenzenecarboxylate4-[3-methoxy-3-oxo-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propyl]phenyl 4-chlorobenzoate[4-[3-methoxy-3-oxo-2-(3-oxo-1H-isoindol-2-yl)propyl]phenyl] 4-chlorobenzoateMLS000327088Oprea1_255465CHEMBL1338596DTXSID401121908HMS2309J24AKOS005086381SMR0001797142R-0702

Show more names

4-[3-Methoxy-3-oxo-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propyl]phenyl 4-chlorobenzoate4-[3-methoxy-3-oxo-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propyl]phenyl4-chlorobenzoateMethyl I+/--[[4-[(4-chlorobenzoyl)oxy]phenyl]methyl]-1,3-dihydro-1-oxo-2H-isoindole-2-acetate

Database identifiers

CAS: 477890-05-4
PubChem CID: 3778596
DTXSID: DTXSID401121908
ChEMBL: CHEMBL1338596

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 72.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 32
Formal charge: 0
Complexity: 684

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