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

Systemtic Name: (4-octylphenyl) 2-[4-(prop-2-enoylamino)butoxy]benzoate Openeye Name: (4-octylphenyl) 2-[4-(prop-2-enoylamino)butoxy]benzoate CAS Name: 2-[4-(1-oxoprop-2-enylamino)butoxy]benzoic acid (4-octylphenyl) ester IUPAC Name: (4-octylphenyl) 2-[4-(prop-2-enoylamino)butoxy]benzoate Traditional Name: 2-(4-acrylamidobutoxy)benzoic acid (4-octylphenyl) ester Formula: C28H37NO4 MolecularWeight: 451.59768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2OCCCCNC(=O)C=C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2OCCCCNC(=O)C=C

InChI

InChI=1S/C28H37NO4/c1-3-5-6-7-8-9-14-23-17-19-24(20-18-23)33-28(31)25-15-10-11-16-26(25)32-22-13-12-21-29-27(30)4-2/h4,10-11,15-20H,2-3,5-9,12-14,21-22H2,1H3,(H,29,30)