[4-(8-oxidanylidene-7-propanoyl-decyl)phenyl] 4-(diethylamino)butanoate

Systemtic Name: [4-(8-oxidanylidene-7-propanoyl-decyl)phenyl] 4-(diethylamino)butanoate Openeye Name: [4-(8-oxo-7-propanoyl-decyl)phenyl] 4-(diethylamino)butanoate CAS Name: 4-(diethylamino)butanoic acid [4-[8-oxo-7-(1-oxopropyl)decyl]phenyl] ester IUPAC Name: [4-(8-oxo-7-propanoyldecyl)phenyl] 4-(diethylamino)butanoate Traditional Name: 4-(diethylamino)butyric acid [4-(8-keto-7-propionyl-decyl)phenyl] ester Formula: C27H43NO4 MolecularWeight: 445.63462

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CCCCCCC1=CC=C(C=C1)OC(=O)CCCN(CC)CC)C(=O)CC

Isomeric SMILES

CCC(=O)C(CCCCCCC1=CC=C(C=C1)OC(=O)CCCN(CC)CC)C(=O)CC

InChI

InChI=1S/C27H43NO4/c1-5-25(29)24(26(30)6-2)15-12-10-9-11-14-22-17-19-23(20-18-22)32-27(31)16-13-21-28(7-3)8-4/h17-20,24H,5-16,21H2,1-4H3