octadecyl 3-[3,5-ditert-butyl-4-[4-(prop-2-enoylamino)butoxy]phenyl]propanoate

Systemtic Name: octadecyl 3-[3,5-ditert-butyl-4-[4-(prop-2-enoylamino)butoxy]phenyl]propanoate Openeye Name: octadecyl 3-[3,5-ditert-butyl-4-[4-(prop-2-enoylamino)butoxy]phenyl]propanoate CAS Name: 3-[3,5-ditert-butyl-4-[4-(1-oxoprop-2-enylamino)butoxy]phenyl]propanoic acid octadecyl ester IUPAC Name: octadecyl 3-[3,5-ditert-butyl-4-[4-(prop-2-enoylamino)butoxy]phenyl]propanoate Traditional Name: 3-[4-(4-acrylamidobutoxy)-3,5-ditert-butyl-phenyl]propionic acid stearyl ester Formula: C42H73NO4 MolecularWeight: 656.03332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)OCCCCNC(=O)C=C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)OCCCCNC(=O)C=C)C(C)(C)C

InChI

InChI=1S/C42H73NO4/c1-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-31-46-39(45)29-28-35-33-36(41(3,4)5)40(37(34-35)42(6,7)8)47-32-27-25-30-43-38(44)10-2/h10,33-34H,2,9,11-32H2,1,3-8H3,(H,43,44)