3-[(E)-3-(2H-chromen-2-ylamino)-2-dodecoxy-prop-1-enoxy]prop-1-en-1-one

Systemtic Name: 3-[(E)-3-(2H-chromen-2-ylamino)-2-dodecoxy-prop-1-enoxy]prop-1-en-1-one Openeye Name: 3-[(E)-3-(2H-chromen-2-ylamino)-2-dodecoxy-prop-1-enoxy]prop-1-en-1-one CAS Name: 3-[(E)-3-(2H-1-benzopyran-2-ylamino)-2-dodecoxyprop-1-enoxy]-1-propen-1-one IUPAC Name: 3-[(E)-3-(2H-chromen-2-ylamino)-2-dodecoxyprop-1-enoxy]prop-1-en-1-one Traditional Name: 3-[(E)-3-(2H-chromen-2-ylamino)-2-lauryloxy-prop-1-enoxy]prop-1-en-1-one Formula: C27H39NO4 MolecularWeight: 441.60286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=COCC=C=O)CNC1C=CC2=CC=CC=C2O1

Isomeric SMILES

CCCCCCCCCCCCO/C(=C/OCC=C=O)/CNC1C=CC2=CC=CC=C2O1

InChI

InChI=1S/C27H39NO4/c1-2-3-4-5-6-7-8-9-10-13-21-31-25(23-30-20-14-19-29)22-28-27-18-17-24-15-11-12-16-26(24)32-27/h11-12,14-18,23,27-28H,2-10,13,20-22H2,1H3/b25-23+