2-ethylhexyl 4-[4-(prop-2-enoylamino)butoxy]benzoate

Systemtic Name: 2-ethylhexyl 4-[4-(prop-2-enoylamino)butoxy]benzoate Openeye Name: 2-ethylhexyl 4-[4-(prop-2-enoylamino)butoxy]benzoate CAS Name: 4-[4-(1-oxoprop-2-enylamino)butoxy]benzoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 4-[4-(prop-2-enoylamino)butoxy]benzoate Traditional Name: 4-(4-acrylamidobutoxy)benzoic acid 2-ethylhexyl ester Formula: C22H33NO4 MolecularWeight: 375.50172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C1=CC=C(C=C1)OCCCCNC(=O)C=C

Isomeric SMILES

CCCCC(CC)COC(=O)C1=CC=C(C=C1)OCCCCNC(=O)C=C

InChI

InChI=1S/C22H33NO4/c1-4-7-10-18(5-2)17-27-22(25)19-11-13-20(14-12-19)26-16-9-8-15-23-21(24)6-3/h6,11-14,18H,3-5,7-10,15-17H2,1-2H3,(H,23,24)